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COD ID: 0

No CIF

Original IUCr paper

 Formula: - C5 H17 Al N2 O8 P2 -
Comments: Phan Thanh, S.; Marrot, J.; Renaudin, J.; Maisonneuve, V. [H~3~N(CH~2~)~5~NH~3~].AlP~2~O~8~H, a one-dimensional aluminophosphate Acta Crystallographica, Section C 56(9) (2000) 1073-1074
Space group: P 1 21/n 1
Cell volume: 1319.9
Cell parameters: 7.8783; 10.4689; 16.068; 90; 95.147; 90;  

COD ID: 1000001
CIF file Formula: - C107 H142 N14 O26 -
Comments: Bachet, Bernard; Soyer, Alain; Billy, Isabelle; Mornon, Jean-Paul Pristinamycin complex solved using Shake-and-Bake ()
Space group: P 21 21 21
Cell volume: 11309.1
Cell parameters: 48.48; 21.72; 10.74; 90; 90; 90;  

COD ID: 1000002
CIF file Formula: - C3 D3 O7 Sr -
Comments: Vanhoyland, G.; Bourée, F.; Van Bael, M. K.; Mullens, J.; Van Poucke, L. C. Structure determination and refinement of acid strontium oxalate from X-ray and neutron powder diffraction Journal of Solid State Chemistry 157(2) (2001) 283-288
Space group: P 1 21/n 1
Cell volume: 613.2
Cell parameters: 6.341; 16.88; 5.7798; 90; 97.6; 90;  

COD ID: 1000003
CIF file Formula: - C3 O6 Sr -
Comments: G. Vanhoyland; M.K. Van Bael; J. Mullens; L.C. Van Poucke Structure determination of anhydrous acid strontium oxalate by conventional X-ray powder diffraction Powder Diffraction 16(4) (2001) 224-226
Space group: P 1 21/c 1
Cell volume: 524.8
Cell parameters: 7.9661; 9.205; 7.3198; 90; 102.104; 90;  

COD ID: 7015747
CIF file Formula: - C44 H58 Cu4 F12 N20 O25 S4 -
Comments: Anwar, Muhammad U.; Elliott, Andrew S.; Thompson, Laurence K.; Dawe, Louise N. Complexes of functionally modified hydrazone ligands‒square, rectangular (M4), trigonal bipyramidal (M5) and pin-wheel (M6) motifs. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4623-4635
Space group: I -4
Cell volume: 3773.94
Cell parameters: 18.517; 18.517; 11.0066; 90; 90; 90;  

COD ID: 1000004
CIF file Formula: - C29 H30 Cu I P2 -
Comments: ()
Space group: P -1
Cell volume: 1364.9
Cell parameters: 9.899; 11.729; 12.259; 103.442; 96.291; 95.56;  

COD ID: 1000005
CIF file Formula: - F16 H3 O6 Sr5 V3 -
Comments: ()
Space group: P 1 21/n 1
Cell volume: 1753.4
Cell parameters: 11.217; 8.1775; 19.887; 90; 105.999; 90;  

COD ID: 1000006
CIF file Formula: - C22 H25 Cl N2 O8 -
Comments: Armel Le Bail Personal Communication to COD ()
Space group: P 21 21 21
Cell volume: 2183.3
Cell parameters: 10.93; 12.7162; 15.7085; 90; 90; 90;  

COD ID: 1000007
CIF file Formula: - Ca Mg O6 Si2 -
Comments: Thompson, R. M.; Downs, R. T. The crystal structure of diopside at pressure to 10 GPa Locality: DeKalb, New York Sample: P = 1 atm American Mineralogist 93 (2008) 177-186
Space group: C 1 2/c 1
Cell volume: 438.63
Cell parameters: 9.7397; 8.9174; 5.2503; 90; 105.866; 90;  

COD ID: 1000008
CIF file Formula: - Ca Mg O6 Si2 -
Comments: Thompson, R. M.; Downs, R. T. The crystal structure of diopside at pressure to 10 GPa Locality: DeKalb, New York Sample: P = 0.13 GPa American Mineralogist 93 (2008) 177-186
Space group: C 1 2/c 1
Cell volume: 438.39
Cell parameters: 9.7377; 8.9151; 5.2494; 90; 105.851; 90;  

COD ID: 1000009
CIF file Formula: - Ca Mg O6 Si2 -
Comments: Thompson, R. M.; Downs, R. T. The crystal structure of diopside at pressure to 10 GPa Locality: DeKalb, New York Sample: P = 2.32 GPa American Mineralogist 93 (2008) 177-186
Space group: C 1 2/c 1
Cell volume: 430.51
Cell parameters: 9.6808; 8.8488; 5.218; 90; 105.606; 90;  

COD ID: 1000010
CIF file Formula: - Ca Mg O6 Si2 -
Comments: Thompson, R. M.; Downs, R. T. The crystal structure of diopside at pressure to 10 GPa Locality: DeKalb, New York Sample: P = 4.22 GPa American Mineralogist 93 (2008) 177-186
Space group: C 1 2/c 1
Cell volume: 424.13
Cell parameters: 9.6341; 8.7948; 5.1926; 90; 105.421; 90;  

COD ID: 1000011
CIF file Formula: - Ca Mg O6 Si2 -
Comments: Thompson, R. M.; Downs, R. T. The crystal structure of diopside at pressure to 10 GPa Locality: DeKalb, New York Sample: P = 5.11 GPa American Mineralogist 93 (2008) 177-186
Space group: C 1 2/c 1
Cell volume: 421.26
Cell parameters: 9.6135; 8.7695; 5.1813; 90; 105.337; 90;  

COD ID: 1000012
CIF file Formula: - Ca Mg O6 Si2 -
Comments: Thompson, R. M.; Downs, R. T. The crystal structure of diopside at pressure to 10 GPa Locality: DeKalb, New York Sample: P = 7.08 GPa American Mineralogist 93 (2008) 177-186
Space group: C 1 2/c 1
Cell volume: 415.49
Cell parameters: 9.5731; 8.7197; 5.158; 90; 105.203; 90;  

COD ID: 7015746
CIF file Formula: - C40 H56 N24 Ni4 O24 -
Comments: Anwar, Muhammad U.; Elliott, Andrew S.; Thompson, Laurence K.; Dawe, Louise N. Complexes of functionally modified hydrazone ligands‒square, rectangular (M4), trigonal bipyramidal (M5) and pin-wheel (M6) motifs. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4623-4635
Space group: P 42/n :2
Cell volume: 3310.8
Cell parameters: 17.217; 17.217; 11.169; 90; 90; 90;  

COD ID: 1000013
CIF file Formula: - Ca Mg O6 Si2 -
Comments: Thompson, R. M.; Downs, R. T. The crystal structure of diopside at pressure to 10 GPa Locality: DeKalb, New York Sample: P = 8.01 GPa American Mineralogist 93 (2008) 177-186
Space group: C 1 2/c 1
Cell volume: 412.83
Cell parameters: 9.5557; 8.6951; 5.1474; 90; 105.148; 90;  

COD ID: 1000014
CIF file Formula: - Ca Mg O6 Si2 -
Comments: Thompson, R. M.; Downs, R. T. The crystal structure of diopside at pressure to 10 GPa Locality: DeKalb, New York Sample: P = 8.88 GPa American Mineralogist 93 (2008) 177-186
Space group: C 1 2/c 1
Cell volume: 410.54
Cell parameters: 9.5391; 8.6752; 5.1385; 90; 105.106; 90;  

COD ID: 1000015
CIF file Formula: - Ca Mg O6 Si2 -
Comments: Thompson, R. M.; Downs, R. T. The crystal structure of diopside at pressure to 10 GPa Locality: DeKalb, New York Sample: P = 9.50 GPa American Mineralogist 93 (2008) 177-186
Space group: C 1 2/c 1
Cell volume: 408.68
Cell parameters: 9.527; 8.6587; 5.1306; 90; 105.067; 90;  

COD ID: 1000016
CIF file Formula: - Ca Mg O6 Si2 -
Comments: Thompson, R. M.; Downs, R. T. The crystal structure of diopside at pressure to 10 GPa Locality: DeKalb, New York Sample: P = 10.16 GPa American Mineralogist 93 (2008) 177-186
Space group: C 1 2/c 1
Cell volume: 407.16
Cell parameters: 9.5164; 8.6449; 5.1246; 90; 105.033; 90;  

COD ID: 1000017
CIF file Formula: - Al2 O3 -
Comments: Tsirelson, V G; Antipin, M Y; Gerr, R G; Ozerov, R P; Struchkov, Y T Ruby structure peculiarities derived from X-ray data. Localization of chromium atoms and electron deformation density Physica Status Solidi, Sectio A: Applied Research 87 (1985) 425-433
Space group: R -3 c :H
Cell volume: 255
Cell parameters: 4.7606; 4.7606; 12.994; 90; 90; 120;  

COD ID: 7015745
CIF file Formula: - C52 H80 N24 Ni4 O24 -
Comments: Anwar, Muhammad U.; Elliott, Andrew S.; Thompson, Laurence K.; Dawe, Louise N. Complexes of functionally modified hydrazone ligands‒square, rectangular (M4), trigonal bipyramidal (M5) and pin-wheel (M6) motifs. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4623-4635
Space group: F d d d :2
Cell volume: 14848
Cell parameters: 19.798; 23.098; 32.469; 90; 90; 90;  

COD ID: 1000018
CIF file

Original IUCr paper

 Formula: - C13 H22 O3 -
Comments: Mondal, Swastik; Mukherjee, Monika; Roy, Arnab; Mukherjee, Debabrata; Helliwell, Madeleine (1SR,2RS,5RS,6SR,8RS)-7,7-dimethyltricyclo[6.2.1.0^1,6^]undecane-2,5,6-triol: a supramolecular framework built from O-H...O hydrogen bonds Acta Crystallographica, Section C 58(8) (2002) o474-o476
Space group: P -1
Cell volume: 1210.8
Cell parameters: 9.812; 11.141; 11.443; 82.47; 77.56; 89.46;  

COD ID: 1000019
CIF file

Original IUCr paper

 Formula: - C17 H17 N O2 -
Comments: Liu, Zhiqiang; Fang, Qi; Yu, Wentao; Xue, Gang; Cao, Duxia; Jiang, Minhua 2'-Hydroxyl-4''-dimethylaminochalcone Acta Crystallographica, Section C 58(8) (2002) o445-o446
Space group: P 1 21/c 1
Cell volume: 1402.8
Cell parameters: 12.1194; 10.2869; 12.5048; 90; 115.864; 90;  

COD ID: 1000020
CIF file Formula: - C12 H30 As2 Cl2 Pt -
Comments: Otto, Stefanus; Muller, Alfred Johannes cis-Dichlorobis(triethylarsine)platinum(II) and cis-dichlorobis(triethylphosphine)platinum(II) Acta Crystallographica, Section C 57(12) (2001) 1405-1407
Space group: P 1 21/n 1
Cell volume: 1866.4
Cell parameters: 8.0566; 17.754; 13.083; 90; 94.2; 90;  

COD ID: 1000021
CIF file Formula: - C13 H15 N O4 S -
Comments: Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides Acta Crystallographica, Section C 57(12) (2001) 1454-1456
Space group: P 1 21/c 1
Cell volume: 1346.3
Cell parameters: 19.967; 7.5484; 9.1666; 90; 102.967; 90;  

COD ID: 1000022
CIF file Formula: - Ca O3 Ti -
Comments: Beran, A; Libowitzky, E; Armbruster, T A single-crystal infrared spectroscopic and X-ray diffraction study of untwinned San Benito perovskite containing O H groups Canadian Mineralogist 34 (1996) 803-809
Space group: P b n m
Cell volume: 223.6
Cell parameters: 5.38; 5.44; 7.639; 90; 90; 90;  

COD ID: 7015744
CIF file Formula: - C36 H40 Cl4 Cu4 N28 O24 -
Comments: Anwar, Muhammad U.; Elliott, Andrew S.; Thompson, Laurence K.; Dawe, Louise N. Complexes of functionally modified hydrazone ligands‒square, rectangular (M4), trigonal bipyramidal (M5) and pin-wheel (M6) motifs. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4623-4635
Space group: I 41/a :2
Cell volume: 5941.8
Cell parameters: 14.7586; 14.7586; 27.279; 90; 90; 90;  

COD ID: 1000023
CIF file Formula: - Cu3 Fe4 O24 P6 -
Comments: ()
Space group: P -1
Cell volume: 406.34
Cell parameters: 7.9296; 9.3275; 6.2555; 107.16; 101.011; 105.83;  

COD ID: 1000024
CIF file

Original IUCr paper

 Formula: - Ga Gd3 O6 -
Comments: Yamane, Hisanori; Sakamoto, Takashi; Kubota, Shun-ichi; Shimada, Masahiko Gd~3~GaO~6~ by X-ray powder diffraction Acta Crystallographica, Section C 55(4) (1999) 479-481
Space group: C m c 21
Cell volume: 556.05
Cell parameters: 8.9928; 11.2809; 5.48116; 90; 90; 90;  

COD ID: 1000025
CIF file Formula: - La Ni5 -
Comments: Kisi, E. H.; Buckley, C. E.; Gray, E. M. The hydrogen activation of LaNi~5~ Journal of Alloys and Compounds 185(2) (1992) 369-384
Space group: P 6/m m m
Cell volume: 86.76
Cell parameters: 5.0125; 5.0125; 3.9873; 90; 90; 120;  

COD ID: 1000026
CIF file Formula: - B2 Mg -
Comments: J. Appl. Chem. USSR, engl. trans. 44 (1971) 970-974
Space group: P 6/m m m
Cell volume: 29.04
Cell parameters: 3.085; 3.085; 3.523; 90; 90; 120;  

COD ID: 1000027
CIF file Formula: - Mg O4 S -
Comments: Rentzeperis, P J; Soldatos, C T The Crystal Structure of the Anhydrous Magnesium Sulfate Acta Crystallographica (1,1948-23,1967) 11 (1958) 686-688
Space group: C m c m
Cell volume: 266.1
Cell parameters: 5.182; 7.893; 6.506; 90; 90; 90;  

COD ID: 1000028
CIF file Formula: - Al6 Cl2 Na8 O24 Si6 -
Comments: Hassan, I.; Grundy, H. D. The Crystal Structures of Sodalite-Group Minerals Acta Crystallographica, Section B 40 (1984) 6-13
Space group: P -4 3 n
Cell volume: 699
Cell parameters: 8.875; 8.875; 8.875; 90; 90; 90;  

COD ID: 1000029
CIF file Formula: - Al2.7 N15.1 O0.9 Si9.3 Y0.5 -
Comments: Izumi, F; Mitomo, M; Bando, Y Reitveld refinements for calcium and yttrium containing $-alpha sialons Journal of Materials Science 19 (1984) 3115-3120
Space group: P 3 1 c
Cell volume: 303
Cell parameters: 7.82927; 7.82927; 5.70757; 90; 90; 120;  

COD ID: 1000030
CIF file Formula: - Ba2 Cu3 O6.9 Y -
Comments: Williams, A; Kwei, G H; Dreele, R B von; Larson, A C; Raistrick, I D; Bish, D L Joint X-ray and neutron refinement of the structure of superconducting YBa~2~Cu~3~O~7-x~: precision structure, anisotropic thermal parameters, strain and cation disorder Physical Review, Serie 3. B - Condensed Matter (18,1978-) 37 (1988) 7960-7962
Space group: P m m m
Cell volume: 173.4
Cell parameters: 3.8203; 3.88548; 11.68349; 90; 90; 90;  

COD ID: 1000031
CIF file Formula: - Ba2 Cu4 O8 Y -
Comments: Lightfoot, P.; Pei, S.; Jorgensen, J. D.; Yamada, Y.; Matsumoto, T.; Izumi, F.; Kodama, Y. Redetermination of the structure of the 80 K superconductor YBa~2~Cu~4~O~8~ by time-of-flight neutron powder diffraction Acta Crystallographica Section C 47 (1991) 1143-1145
Space group: C m m m
Cell volume: 404.8
Cell parameters: 3.8402; 3.8708; 27.2309; 90; 90; 90;  

COD ID: 1000032
CIF file Formula: - Al2 O3 -
Comments: Lutterotti, L; Scardi, P Simultaneous structure and size-strain refinement by the Rietveld method Journal of Applied Crystallography 23 (1990) 246-252
Space group: R -3 c :H
Cell volume: 255.1
Cell parameters: 4.7605; 4.7605; 12.9956; 90; 90; 120;  

COD ID: 7015743
CIF file Formula: - C84 H80 B2 Co5 F14 N30 O16 S6 Si -
Comments: Anwar, Muhammad U.; Elliott, Andrew S.; Thompson, Laurence K.; Dawe, Louise N. Complexes of functionally modified hydrazone ligands‒square, rectangular (M4), trigonal bipyramidal (M5) and pin-wheel (M6) motifs. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4623-4635
Space group: P 1 21/c 1
Cell volume: 10308.5
Cell parameters: 13.1328; 29.758; 27.266; 90; 104.666; 90;  

COD ID: 1000033
CIF file Formula: - C Ba O3 -
Comments: de Villiers, J P R Crystal structures of aragonite, strontianite, and witherite American Mineralogist 56 (1971) 758-766
Space group: P m c n
Cell volume: 303.8
Cell parameters: 5.3126; 8.8958; 6.4284; 90; 90; 90;  

COD ID: 1000034
CIF file Formula: - Al2 Ca O8 Si2 -
Comments: Wainwright, J E; Starkey, J A refinement of the structure of anorthite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 133 (1971) 75-84
Space group: P -1
Cell volume: 1336.3
Cell parameters: 8.173; 12.869; 14.165; 93.113; 115.913; 91.261;  

COD ID: 1000035
CIF file Formula: - Al0.34 Ca0.6 Fe0.2 Mg0.9 Na0.1 O6 Si1.82 -
Comments: Clark, J R; Appleman, D E; Papike, J J Crystal-Chemical Characterization of Clinopyroxenes based on Eight New Structure Refinements Mineralogical Society of America: Special Papers 2 (1969) 31-50
Space group: C 1 2/c 1
Cell volume: 432.5
Cell parameters: 9.699; 8.844; 5.272; 90; 106.97; 90;  

COD ID: 1000036
CIF file Formula: - H2 Mg3 O12 Si4 -
Comments: Hendricks, S B; Jefferson, M E Crystal structure of vermiculites and mixed vermiculite-chlorites American Mineralogist 23 (1938) 851-862
Space group: C 1 c 1
Cell volume: 1409.3
Cell parameters: 5.33; 9.18; 28.85; 90; 93.25; 90;  

COD ID: 1000037
CIF file Formula: - Ba O4 S -
Comments: Colville, A A; Staudhammer, K A Refinement of the Structure of Barite American Mineralogist 52 (1967) 1877-1880
Space group: P n m a
Cell volume: 346.8
Cell parameters: 8.884; 5.458; 7.153; 90; 90; 90;  

COD ID: 1000038
CIF file Formula: - Al Fe H2 K Mg2 O12 Si3 -
Comments: Brigatti, M F; Davoli, P Crystal structure refinement of 1M plutonic biotites American Mineralogist 75 (1990) 305-313
Space group: C 1 2/m 1
Cell volume: 497.8
Cell parameters: 5.345; 9.258; 10.222; 90; 100.23; 90;  

COD ID: 1000039
CIF file Formula: - Al6 Ca9 O18 -
Comments: Mondal, P; Jeffery, J W The crystal structure of tricalcium aluminate, Ca~3~ Al~2~ O~6~ Acta Crystallographica B (24,1968-38,1982) 31 (1975) 689-697
Space group: P a -3
Cell volume: 3555.7
Cell parameters: 15.263; 15.263; 15.263; 90; 90; 90;  

COD ID: 1000040
CIF file Formula: - Al0.6 Ca2 Fe1.4 O5 -
Comments: Colville, A A; Geller, S Crystal structures of Ca~2~ Fe~1.43~ Al~0.57~ O~5~ and Ca~2~ Fe~1.28~ Al~0.72~ O~5~ Acta Crystallographica B (24,1968-38,1982) 28 (1972) 3196-3200
Space group: I b m 2
Cell volume: 439.2
Cell parameters: 5.588; 14.61; 5.38; 90; 90; 90;  

COD ID: 7015742
CIF file Formula: - C28 H18 B Co F4 N8 O2 S2 -
Comments: Anwar, Muhammad U.; Elliott, Andrew S.; Thompson, Laurence K.; Dawe, Louise N. Complexes of functionally modified hydrazone ligands‒square, rectangular (M4), trigonal bipyramidal (M5) and pin-wheel (M6) motifs. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4623-4635
Space group: C 1 2/c 1
Cell volume: 5911.6
Cell parameters: 21.056; 16.647; 17.45; 90; 104.873; 90;  

COD ID: 1000041
CIF file Formula: - Cl Na -
Comments: Abrahams, S C; Bernstein, J L Accuracy of an automatic diffractometer. measurement of the sodium chloride structure factors Acta Crystallographica (1,1948-23,1967) 18 (1965) 926-932
Space group: F m -3 m
Cell volume: 177.5
Cell parameters: 5.62; 5.62; 5.62; 90; 90; 90;  

COD ID: 1000042
CIF file Formula: - Al3 H2 K O12 Si3 -
Comments: Gatineau, L Localisation des remplacements isomorphiques dans la Muscovite Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 256 (1963) 4648-4649
Space group: C 1 2/c 1
Cell volume: 934.2
Cell parameters: 5.189; 8.995; 20.09698; 90; 95.18; 90;  

COD ID: 1000043
CIF file Formula: - Ca F2 -
Comments: Cheetham, A K; Fender, B E F; Cooper, M J Defect structure of calcium fluoride containing excess anions: I. Bragg scattering Journal of Physics C 4 (1971) 3107-3121
Space group: F m -3 m
Cell volume: 163
Cell parameters: 5.462; 5.462; 5.462; 90; 90; 90;  

COD ID: 1000044
CIF file Formula: - Ca O -
Comments: Primak, W; Kaufman, H; Ward, R X-Ray Diffraction Studies of Systems Involved in the Preparation of Alkaline Earth Sulfide and Selenide Phosphors Journal of the American Chemical Society 70 (1948) 2043-2046
Space group: F m -3 m
Cell volume: 110.5
Cell parameters: 4.799; 4.799; 4.799; 90; 90; 90;  

COD ID: 7015741
CIF file Formula: - C77 H109 Mn6 N8 O49 Tb3 -
Comments: Zheng, Yong; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun Enantiopure sandwich-type nonanuclear Ln(III)3Mn(III)6 clusters. Dalton transactions (Cambridge, England : 2003) 40(16) (2011) 4035-4037
Space group: P 21 21 2
Cell volume: 11245
Cell parameters: 27.991; 28.123; 14.285; 90; 90; 90;  

COD ID: 1000045
CIF file Formula: - Ca H2 O2 -
Comments: Busing, W R; Levy, H A Neutron diffraction study of calcium hydroxide Journal of Chemical Physics 26 (1957) 563-568
Space group: P -3 m 1
Cell volume: 54.4
Cell parameters: 3.5862; 3.5862; 4.8801; 90; 90; 120;  

COD ID: 1000046
CIF file Formula: - Ca5 H10 O22 Si6 -
Comments: Hoffmann, C; Armbruster, T Clinotobermorite, Ca5 (Si3 O8 (O H))2 . 4(H2 O) Ca5 (Si6 O17) . 5 (H2 O), a natural C-S-H(I) type cement mineral: determination of the substructure Zeitschrift fuer Kristallographie (149,1979-) 212 (1997) 863-873
Space group: I 1 2/m 1
Cell volume: 454.4
Cell parameters: 5.593; 3.645; 22.45599; 90; 96.97; 90;  

COD ID: 1000047
CIF file Formula: - Mg2 O6 Si2 -
Comments: Yang, H X; Ghose, S High temperature single crystal X-ray diffraction studies of the ortho- proto phase transition in enstatite, Mg2 Si2 O6 at 1360 K Physics and Chemistry of Minerals (Germany) 22 (1995) 300-310
Space group: P b c a
Cell volume: 833.4
Cell parameters: 18.25099; 8.814; 5.181; 90; 90; 90;  

COD ID: 1000048
CIF file Formula: - Al2 Ca2 O7 Si -
Comments: Swainson, I P; Dove, M T; Schmahl, W W; Putnis, A Neutron Diffraction Study of the Akermanite-Gehlenite Solid Solution Series Physics and Chemistry of Minerals (Germany) 19 (1992) 185-195
Space group: P -4 21 m
Cell volume: 299.1
Cell parameters: 7.685; 7.685; 5.0636; 90; 90; 90;  

COD ID: 1000049
CIF file Formula: - K2 O4 S -
Comments: Miyake, M; Morikawa, H; Iwai, S I Structure Reinvestigation of the High-Temperature Form of K~2~ S O~4~ Acta Crystallographica B (24,1968-38,1982) 36 (1980) 532-536
Space group: P 63/m m c
Cell volume: 256.5
Cell parameters: 5.947; 5.947; 8.375; 90; 90; 120;  

COD ID: 7015740
CIF file Formula: - C154 H218 Dy6 Mn12 N16 O98 -
Comments: Zheng, Yong; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun Enantiopure sandwich-type nonanuclear Ln(III)3Mn(III)6 clusters. Dalton transactions (Cambridge, England : 2003) 40(16) (2011) 4035-4037
Space group: P 21 21 2
Cell volume: 11288
Cell parameters: 28.061; 28.125; 14.303; 90; 90; 90;  

COD ID: 1000050
CIF file Formula: - Cl K -
Comments: Will, G Energiedispersion und Synchrotronstrahlung: Eine neue Methode und eine neue Strahlenquelle fuer die Roentgenbeugung Fortschritte der Mineralogie 59 (1981) 31-94
Space group: P m -3 m
Cell volume: 48
Cell parameters: 3.634; 3.634; 3.634; 90; 90; 90;  

COD ID: 1000051
CIF file Formula: - K N O3 -
Comments: Nimmo, J; Lucas, B The crystal structures of $-gamma- and $-beta-K N O~3~ and the $-alpha- $-gamma-$-beta phase transformations Acta Crystallographica B (24,1968-38,1982) 32 (1976) 1968-1971
Space group: R 3 m :H
Cell volume: 238.7
Cell parameters: 5.487; 5.487; 9.156; 90; 90; 120;  

COD ID: 1000052
CIF file Formula: - C4 Ca Mg3 O12 -
Comments: Dollase, W A; Reeder, R J Crystal structure refinement of Huntite Ca Mg~3~ (C O~3~)~4~ with X-ray powder data American Mineralogist 71 (1986) 163-166
Space group: R 3 2 :H
Cell volume: 611.6
Cell parameters: 9.5027; 9.5027; 7.8212; 90; 90; 120;  

COD ID: 1000053
CIF file Formula: - Mg O -
Comments: Sasaki, Satoshi; Fujino, Kiyoshi; Takéuchi, Yoshio X-Ray Determination of Electron-Density Distributions in Oxides, MgO, MnO, CoO, and NiO, and Atomic Scattering Factors of their Constituent Atoms Proceedings of the Japan Academy, Series B: Physical and Biological Sciences 55(2) (1979) 43-48
Space group: F m -3 m
Cell volume: 75
Cell parameters: 4.217; 4.217; 4.217; 90; 90; 90;  

COD ID: 1000054
CIF file Formula: - H2 Mg O2 -
Comments: Zigan, F; Rothbauer, R Neutronenbeugungsmessungen am Brucit Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) 1967 (1967) 137-143
Space group: P -3 m 1
Cell volume: 40.7
Cell parameters: 3.142; 3.142; 4.766; 90; 90; 120;  

COD ID: 7015739
CIF file Formula: - C45 H57 Cl4 Fe N8 O4 -
Comments: Ikezaki, Akira; Nakamura, Mikio Formation and characterization of a six-coordinate iron(III) complex with the most ruffled porphyrin ring. Dalton transactions (Cambridge, England : 2003) 40(14) (2011) 3455-3458
Space group: P 1 21/c 1
Cell volume: 4874.6
Cell parameters: 9.467; 40.94; 12.708; 90; 98.23; 90;  

COD ID: 1000055
CIF file Formula: - B6 La -
Comments: Zavalij, P ()
Space group: P m 3 m
Cell volume: 71.87
Cell parameters: 4.157597; 4.157597; 4.157597; 90; 90; 90;  

COD ID: 1000056
CIF file Formula: - B14 Mg1.93 -
Comments: Crystal structure of magnesium heptaboride Mg2 B14 Journal of the Less-Common Metals 82 (1981) 325
Space group: I m a m
Cell volume: 508.35
Cell parameters: 5.97; 8.125; 10.48; 90; 90; 90;  

COD ID: 1000057
CIF file Formula: - B6 La -
Comments: Eliseev, A A; Efremmov, V A; Kuz'micheva, G M; Konovalova, E S; Lazorenko, V I; Paderno, Y B; Khlyustova, S Y X-ray structural investigation of single crystals of lanthanum, cerium, and samarium hexaborides Kristallografiya 31 (1986) 803-805
Space group: P m -3 m
Cell volume: 71.8
Cell parameters: 4.157; 4.157; 4.157; 90; 90; 90;  

COD ID: 1000058
CIF file Formula: - O2 Ru -
Comments: ()
Space group: P 42/m n m
Cell volume: 62.8
Cell parameters: 4.4968; 4.4968; 3.1049; 90; 90; 90;  

COD ID: 1000059
CIF file Formula: - Al2 O3 -
Comments: Wang, X - L; Hubbard, C R; Alexander, K B; Becher, P F Neutron diffraction measurements of the residual stresses in Al2 O3 - Zr O2 (Ce O2) ceramic composites Journal of the American Ceramic Society 77(6) (1994) 1569-1575
Space group: R -3 c :H
Cell volume: 254.4
Cell parameters: 4.7554; 4.7554; 12.991; 90; 90; 120;  

COD ID: 1000060
CIF file Formula: - Al2 O5 Ti -
Comments: Morosin, B; Lynch, R W Structure studies on Al~2~ Ti O~5~ at room temperature and at 600C Acta Crystallographica B (24,1968-38,1982) 28 (1972) 1040-1046
Space group: B b m m
Cell volume: 326.3
Cell parameters: 9.429; 9.636; 3.591; 90; 90; 90;  

COD ID: 1000061
CIF file Formula: - Al H3 O3 -
Comments: Rothbauer, R; Zigan, F; O'Daniel, H Verfeinerung der Struktur des Bayerits, Al (O H)3 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 125 (1967) 317-331
Space group: P 1 21/a 1
Cell volume: 206.9
Cell parameters: 5.062; 8.671; 4.713; 90; 90.27; 90;  

COD ID: 1000062
CIF file Formula: - O2 Sn -
Comments: Baur, W H; Khan, A A Rutile-Type Compounds. VI. Si O2, Ge O2 and a Comparison with other Rutile-Type Structures Acta Crystallographica B (24,1968-38,1982) 27 (1971) 2133-2139
Space group: P 42/m n m
Cell volume: 71.5
Cell parameters: 4.738; 4.738; 3.1865; 90; 90; 90;  

COD ID: 7015738
CIF file Formula: - C50 H54 Cl7 Fe N8 O4 -
Comments: Ikezaki, Akira; Nakamura, Mikio Formation and characterization of a six-coordinate iron(III) complex with the most ruffled porphyrin ring. Dalton transactions (Cambridge, England : 2003) 40(14) (2011) 3455-3458
Space group: P c a 21
Cell volume: 5399.1
Cell parameters: 43.2; 11.7; 10.682; 90; 90; 90;  

COD ID: 1000063
CIF file Formula: - Cu2 O -
Comments: Neuburger, M C Praezisionsmessung der Gitterkonstante von Cuprooxyd Cu2 O Zeitschrift fuer Physik 67 (1930) 845-850
Space group: P n -3 m :1
Cell volume: 76.9
Cell parameters: 4.252; 4.252; 4.252; 90; 90; 90;  

COD ID: 1000064
CIF file Formula: - Fe2 O4 Si -
Comments: Fujino, K; Sasaki, S; Takeuchi, Y; Sadanaga, R X-ray Determination of Electron Distributions in Forsterite, Fayalite and Tephroite Acta Crystallographica B (24,1968-38,1982) 37 (1981) 513-518
Space group: P b n m
Cell volume: 307.4
Cell parameters: 4.8195; 10.4788; 6.0873; 90; 90; 90;  

COD ID: 1000065
CIF file Formula: - C -
Comments: Nixon, D E; Parry, G S; Ubbelohde, A R Order-disorder transformations in graphite nitrates Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 291 (1966) 324-339
Space group: R -3 m :H
Cell volume: 175.3
Cell parameters: 2.46; 2.46; 33.45; 90; 90; 120;  

COD ID: 1000066
CIF file Formula: - Ba2 Cu2.5 O7 Pd0.5 Y -
Comments: Ferey, G; Le Bail, A; Laligant, Y; Hervieu, M; Raveau, B; Sulpice, A; Tournier, R Ordered Pd^2+^ - Cu^2+^ substitution in 1.2.3. superconductor: The oxide Y Ba~2~ Cu~3-x~ Pd~x~ O~y~ (x=0.5) with Pd^2+^ in square planar coordination. Physica C (Amsterdam) (152,1988-) 153 (1988) 489-490
Space group: P m m m
Cell volume: 174.1
Cell parameters: 3.841; 3.883; 11.671; 90; 90; 90;  

COD ID: 1000067
CIF file Formula: - Li O6 Sb W -
Comments: Le Bail, A; Duroy, H; Fourquet, J L Ab-initio structure determination of Li Sb W O~6~ by X-ray powder diffraction Materials Research Bulletin 23 (1988) 447-452
Space group: P b c n
Cell volume: 406.5
Cell parameters: 4.6664; 17.4435; 4.9941; 90; 90; 90;  

COD ID: 1000068
CIF file Formula: - Li Nb O6 W -
Comments: Fourquet, J L; Le Bail, A; Gillet, P A Li Nb W O~6~: Crystal structure of its two allotropic forms Materials Research Bulletin 23 (1988) 1163-1170
Space group: P -4 21 m
Cell volume: 203.3
Cell parameters: 4.6819; 4.6819; 9.2757; 90; 90; 90;  

COD ID: 7015737
CIF file Formula: - C124 H56 Cl4 Co P4 -
Comments: Konarev, Dmitri V.; Kuźmin, Alexey V; Simonov, Sergey V.; Khasanov, Salavat S.; Yudanova, Evgeniya I.; Lyubovskaya, Rimma N. Structure and properties of ionic fullerene complex Co(+)(dppe)2·(C60˙-)·(C6H4Cl2)2: distortion of the ordered fullerene cage of C60˙- radical anions. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4453-4458
Space group: C 1 2/c 1
Cell volume: 8206.6
Cell parameters: 10.2711; 39.2279; 20.6979; 90; 100.241; 90;  

COD ID: 1000069
CIF file Formula: - Li Nb O6 W -
Comments: Fourquet, J L; Le Bail, A; Gillet, P A Li Nb W O~6~: Crystal structure of its two allotropic forms Materials Research Bulletin 23 (1988) 1163-1170
Space group: P -4 21 m
Cell volume: 203.3
Cell parameters: 4.6818; 4.6818; 9.2754; 90; 90; 90;  

COD ID: 1000070
CIF file Formula: - Li Nb O6 W -
Comments: Fourquet, J L; Le Bail, A; Gillet, P A Li Nb W O~6~: Crystal structure of its two allotropic forms Materials Research Bulletin 23 (1988) 1163-1170
Space group: R 3 c :H
Cell volume: 314.6
Cell parameters: 5.1562; 5.1562; 13.664; 90; 90; 120;  

COD ID: 1000071
CIF file Formula: - Ba2 O3 Pd -
Comments: Laligant, Y; Le Bail, A; Ferey, G; Hervieu, M; Raveau, B; Wilkinson, A; Cheetham, A K Synthesis and ab-initio structure determination from X-ray powder data of Ba~2~ Pd O~3~ with sevenfold coordinated Ba^2+^. Structural correlations with K~2~ Ni F~4~ and Ba~2~ Ni F~6~ European Journal of Solid State Inorganic Chemistry 25 (1988) 237-246
Space group: I m m m
Cell volume: 208.7
Cell parameters: 13.335; 4.08; 3.8362; 90; 90; 90;  

COD ID: 1000072
CIF file Formula: - H5 O7 P V -
Comments: Le Bail, A; Ferey, G; Amoros, P; Beltran Porter, D; Villeneuve, G Crystal Structure of $+beta-V O (H P O~4~) (H~2~ O)2 Solved from X-Ray Powder Diffraction Journal of Solid State Chemistry 79 (1989) 169-176
Space group: P -1
Cell volume: 528.8
Cell parameters: 5.659; 7.578; 12.623; 89.66; 102.14; 92.23;  

COD ID: 7015736
CIF file Formula: - C27 H35 I Ir N2 O P -
Comments: Leonard, Nadia G.; Williard, Paul G.; Bernskoetter, Wesley H. Synthesis and coordination chemistry of organoiridium complexes supported by an anionic tridentate ligand. Dalton transactions (Cambridge, England : 2003) 40(16) (2011) 4300-4306
Space group: P 1 21/n 1
Cell volume: 2614
Cell parameters: 10.255; 16.564; 15.548; 90; 98.231; 90;  

COD ID: 1000073
CIF file Formula: - F7 Li3 Th -
Comments: Laligant, Y; Le Bail, A; Avignant, D; Cousseins, J C; Ferey, G Crystal Structure of Li~3~ Th F~7~ solved by X-Ray and Neutron Diffraction Journal of Solid State Chemistry 80 (1989) 206-212
Space group: C c c a :2
Cell volume: 998.6
Cell parameters: 8.7885; 8.7685; 12.958; 90; 90; 90;  

COD ID: 1000074
CIF file Formula: - F7 Li3 Th -
Comments: Laligant, Y; Le Bail, A; Avignant, D; Cousseins, J C; Ferey, G Crystal Structure of Li~3~ Th F~7~ solved by X-Ray and Neutron Diffraction Journal of Solid State Chemistry 80 (1989) 206-212
Space group: C c c a :2
Cell volume: 985.8
Cell parameters: 8.759; 8.728; 12.8956; 90; 90; 90;  

COD ID: 1000075
CIF file Formula: - Bi Li O4 Pd2 -
Comments: Laligant, Y; Le Bail, A; Ferey, G Complex Palladium Oxides. V. Crystal Structure of Li Bi Pd~2~ O~4~: An Example of Three Different Fourfold Coordinations of Cations Journal of Solid State Chemistry 81 (1989) 58-64
Space group: P 4/n m m :2
Cell volume: 208
Cell parameters: 6.9109; 6.9109; 4.3557; 90; 90; 90;  

COD ID: 1000076
CIF file Formula: - Al5 F26 Na3 Sr4 -
Comments: Hemon, A; Le Bail, A; Courbion, G Crystal Structure of Na~3~ Sr~4~ Al~5~ F~26~ Journal of Solid State Chemistry 81 (1989) 299-304
Space group: P 42/n :2
Cell volume: 1937.1
Cell parameters: 10.2679; 10.2679; 18.373; 90; 90; 90;  

COD ID: 1000077
CIF file Formula: - Cr F3 H0.0999 N0.0333 -
Comments: de Pape, R; Le Bail, A; Lubin, F; Ferey, G Les varietes "bronze de tungstene hexagonal" des trifluorures CrF~3~ et VF~3~ Revue de Chimie Minerale 24 (1987) 545-551
Space group: C m c m
Cell volume: 668.7
Cell parameters: 7.276; 12.48; 7.364; 90; 90; 90;  

COD ID: 7015735
CIF file Formula: - C24 H29 Ir N2 P -
Comments: Leonard, Nadia G.; Williard, Paul G.; Bernskoetter, Wesley H. Synthesis and coordination chemistry of organoiridium complexes supported by an anionic tridentate ligand. Dalton transactions (Cambridge, England : 2003) 40(16) (2011) 4300-4306
Space group: P b c a
Cell volume: 4378
Cell parameters: 16.679; 15.389; 17.057; 90; 90; 90;  

COD ID: 1000078
CIF file Formula: - F3 H0.0801 N0.0267 V -
Comments: de Pape, R; Le Bail, A; Lubin, F; Ferey, G Les varietes "bronze de tungstene hexagonal" des trifluorures CrF~3~ et VF~3~ Revue de Chimie Minerale 24 (1987) 545-551
Space group: C m c m
Cell volume: 720.8
Cell parameters: 7.425; 12.835; 7.563; 90; 90; 90;  

COD ID: 1000079
CIF file Formula: - H K O6 P V -
Comments: Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction European Journal of Solid State Inorganic Chemistry 25 (1988) 599-607
Space group: P b c a
Cell volume: 1050.3
Cell parameters: 6.755; 9.1026; 17.0808; 90; 90; 90;  

COD ID: 1000080
CIF file Formula: - H5 N O6 P V -
Comments: Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction European Journal of Solid State Inorganic Chemistry 25 (1988) 599-607
Space group: P b c a
Cell volume: 1117.2
Cell parameters: 6.8064; 9.2567; 17.732; 90; 90; 90;  

COD ID: 1000081
CIF file Formula: - H O6 P Rb V -
Comments: Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction European Journal of Solid State Inorganic Chemistry 25 (1988) 599-607
Space group: P b c a
Cell volume: 1116.9
Cell parameters: 6.8182; 9.291; 17.631; 90; 90; 90;  

COD ID: 1000082
CIF file Formula: - Al6 F21 Na Rb2 -
Comments: Le Bail, A; Gao, Y; Jacoboni, C Crystal structure of Rb~2~NaAl~6~F~21~; a new term of the A~2~Na(Al~x~F~3x+1~)~3~ family (A= Rb, Cs) European Journal of Solid State Inorganic Chemistry 26 (1989) 281-288
Space group: C 1 2 1
Cell volume: 790.4
Cell parameters: 12.075; 6.972; 10.214; 90; 113.2; 90;  

COD ID: 7015734
CIF file Formula: - C32 H52 Cu4 N16 O32 Sr2 -
Comments: Chen, Yanmei; Zheng, Lina; She, Shixiong; Chen, Zhou; Hu, Bin; Li, Yahong Two novel heterometallic Cu(II)-Sr(II) coordination polymers based on 3,5-pyrazoledicarboxylic acid: synthesis, crystal structures and magnetic properties. Dalton transactions (Cambridge, England : 2003) 40(18) (2011) 4970-4975
Space group: P 43
Cell volume: 5545.8
Cell parameters: 11.5093; 11.5093; 41.8662; 90; 90; 90;  

COD ID: 1000083
CIF file Formula: - H5 O7 P V -
Comments: Le Bail, A; Ferey, G; Amoros, P; Beltran-Portier, D Structure of vanadyl hydrogenphosphate dihydrate $-alpha-VO(HPO~4~) 2H~2~O solved from X-ray and neutron powder diffraction European Journal of Solid State Inorganic Chemistry 26 (1989) 419-426
Space group: P 1 21/c 1
Cell volume: 534
Cell parameters: 7.613; 7.431; 9.482; 90; 95.44; 90;  

COD ID: 1000084
CIF file Formula: - H5 O7 P V -
Comments: Le Bail, A; Ferey, G; Amoros, P; Beltran-Portier, D Structure of vanadyl hydrogenphosphate dihydrate $-alpha-VO(HPO~4~) 2H~2~O solved from X-ray and neutron powder diffraction European Journal of Solid State Inorganic Chemistry 26 (1989) 419-426
Space group: P 1 21/c 1
Cell volume: 532.4
Cell parameters: 7.61; 7.42; 9.47; 90; 95.4; 90;  

COD ID: 1000085
CIF file Formula: - Cr5 F17 Rb2 -
Comments: Laligant, Y; Le Bail, A; Ferey, G Crystal structure determination of Rb~2~Cr~5~F~17~ European Journal of Solid State Inorganic Chemistry 26 (1989) 445-454
Space group: C m c m
Cell volume: 2784.7
Cell parameters: 7.418; 25.67; 14.624; 90; 90; 90;  

COD ID: 1000086
CIF file Formula: - Al2 F3.24 H4.76 O3.76 -
Comments: Fourquet, J L; Riviere, M; Le Bail, A; Nygrens, M; Grins, J Crystal structure and protonic conductivity of pyrochlore phases Al~2~((O H)~1-x~ F~x~)~6~ . H~2~O and Al~2~((O H)~1-x~F~x~)~6~ (x=0.5) European Journal of Solid State Inorganic Chemistry 25 (1988) 535-540
Space group: F d -3 m :2
Cell volume: 959
Cell parameters: 9.8614; 9.8614; 9.8614; 90; 90; 90;  

COD ID: 7015733
CIF file Formula: - C10 H12 Cu2 N4 O13 Sr -
Comments: Chen, Yanmei; Zheng, Lina; She, Shixiong; Chen, Zhou; Hu, Bin; Li, Yahong Two novel heterometallic Cu(II)-Sr(II) coordination polymers based on 3,5-pyrazoledicarboxylic acid: synthesis, crystal structures and magnetic properties. Dalton transactions (Cambridge, England : 2003) 40(18) (2011) 4970-4975
Space group: P -1
Cell volume: 849.9
Cell parameters: 9.1989; 9.3074; 11.665; 92.37; 109.46; 112.98;  

COD ID: 1000087
CIF file Formula: - Al2 F3 H3 O3 -
Comments: Fourquet, J L; Riviere, M; Le Bail, A; Nygrens, M; Grins, J Crystal structure and protonic conductivity of pyrochlore phases Al~2~((O H)~1-x~ F~x~)~6~ . H~2~O and Al~2~((O H)~1-x~F~x~)~6~ (x=0.5) European Journal of Solid State Inorganic Chemistry 25 (1988) 535-540
Space group: F d -3 m :2
Cell volume: 926.6
Cell parameters: 9.749; 9.749; 9.749; 90; 90; 90;  

COD ID: 1000088
CIF file Formula: - F6 Li2 Tb -
Comments: Laligant, Y; Le Bail, A; Ferey, G; Avignant, D; Cousseins, J C Determination of the crystal structure of Li~2~ Tb F~6~ from X-ray and neutron powder diffraction. An example of lithium in five-fold coordination. European Journal of Solid State Inorganic Chemistry 25 (1988) 551-563
Space group: P 1 21/c 1
Cell volume: 400.4
Cell parameters: 7.585; 4.965; 11.116; 90; 106.96; 90;  

COD ID: 1000089
CIF file Formula: - F6 Li2 Tb -
Comments: Laligant, Y; Le Bail, A; Ferey, G; Avignant, D; Cousseins, J C Determination of the crystal structure of Li~2~ Tb F~6~ from X-ray and neutron powder diffraction. An example of lithium in five-fold coordination. European Journal of Solid State Inorganic Chemistry 25 (1988) 551-563
Space group: P 1 21/c 1
Cell volume: 394.7
Cell parameters: 7.56; 4.934; 11.066; 90; 107.02; 90;  

COD ID: 1000090
CIF file Formula: - F5 Fe K2 -
Comments: Le Bail, A; Desert, A; Fourquet, J L Reinvestigation of the structure of K~2~FeF~5~ Journal of Solid State Chemistry 84 (1990) 408-412
Space group: P b c n
Cell volume: 1948.2
Cell parameters: 7.4059; 12.8771; 20.4282; 90; 90; 90;  

COD ID: 7015732
CIF file Formula: - C27 H40 N6 -
Comments: Godau, Tom; Bleifuß, Sascha M; Müller, Astrid L; Roth, Thomas; Hoffmann, Susanne; Heinemann, Frank W.; Burzlaff, Nicolai Cu(i) catalysed cyclopropanation with enantiopure scorpionate type ligands derived from (+)-camphor or (-)-menthone. Dalton transactions (Cambridge, England : 2003) 40(24) (2011) 6547-6554
Space group: P 1 21 1
Cell volume: 2682.89
Cell parameters: 8.8408; 11.2369; 27.045; 90; 93.068; 90;  

COD ID: 1000091
CIF file Formula: - Ca2.028 F7 Lu0.972 -
Comments: Laval, J P; Abaouz, A; Frit, B; Le Bail, A Short-range order in the anion-excess fluorite-related Ca~0.68~Ln~0.32~F~2.32~ solid solutions: EXAFS study of the Ln^3+^ environment Journal of Solid State Chemistry 85 (1990) 133-143
Space group: I 4/m
Cell volume: 1240.3
Cell parameters: 8.6633; 8.6633; 16.5252; 90; 90; 90;  

COD ID: 1000092
CIF file Formula: - Cr10 F31 K5 -
Comments: Laligant, Y; Le Bail, A; Leblanc, M; Ferey, G A new structure type in mixed valence fluorinated compounds: K~5~Cr~4~^2+^Cr~6~^3+^F~31~ Journal of Solid State Chemistry 85 (1990) 151-158
Space group: C 1 2/m 1
Cell volume: 5093.5
Cell parameters: 21.576; 7.6081; 32.865; 90; 109.24; 90;  

COD ID: 1000093
CIF file Formula: - F1.6 O0.7 Sm -
Comments: Laval, J P; Abaouz, A; Frit, B; Le Bail, A Defect structure of the orthorhombic anion-excess fluorite related SmF~1.60~O~0.70~ European Journal of Solid State Inorganic Chemistry 27 (1990) 545-555
Space group: P m m n :2
Cell volume: 89.1
Cell parameters: 3.9041; 4.0397; 5.6473; 90; 90; 90;  

COD ID: 1000094
CIF file Formula: - Ni O6 V2 -
Comments: Le Bail, A; Lafontaine, M A Structure determination of NiV~2~O~6~ from X-ray powder diffraction : a rutile-ramsdellite intergrowth European Journal of Solid State Inorganic Chemistry 27 (1990) 671-680
Space group: P -1
Cell volume: 293.9
Cell parameters: 7.13; 4.791; 8.825; 90.16; 102.13; 94.19;  

COD ID: 1000095
CIF file Formula: - H Na2.57 O18 P4 V4 -
Comments: Le Bail, A; Leblanc, M; Amoros, P Synthesis and crystal structure of Na~1+x~V~4~P~4~O~17~(OH) (x=1.44) Journal of Solid State Chemistry 87 (1990) 178-185
Space group: P n m a
Cell volume: 1398.4
Cell parameters: 13.723; 6.314; 16.139; 90; 90; 90;  

COD ID: 1000096
CIF file Formula: - Cl5.5 Cr H32 N6.5 Ni O6 -
Comments: Moron, M C; Le Bail, A; Pons, J The crystal and molecular structures of twinned (Cr(NH~3~)~6~)(Ni(H~2~O)~6~)Cl~5~ . 1/2(NH~4~Cl): a new complex bimetallic compound Journal of Solid State Chemistry 88 (1990) 498-504
Space group: F d -3 :2
Cell volume: 8539.7
Cell parameters: 20.44; 20.44; 20.44; 90; 90; 90;  

COD ID: 7015731
CIF file Formula: - C28 H38 N4 O S -
Comments: Godau, Tom; Bleifuß, Sascha M; Müller, Astrid L; Roth, Thomas; Hoffmann, Susanne; Heinemann, Frank W.; Burzlaff, Nicolai Cu(i) catalysed cyclopropanation with enantiopure scorpionate type ligands derived from (+)-camphor or (-)-menthone. Dalton transactions (Cambridge, England : 2003) 40(24) (2011) 6547-6554
Space group: C 1 2 1
Cell volume: 2700.62
Cell parameters: 26.0261; 7.922; 16.4224; 90; 127.099; 90;  

COD ID: 1000097
CIF file Formula: - Cd F3 H4 N -
Comments: Le Bail, A.; Fourquet, J. L.; Rubin, J.; Palacios, E.; Bartolome, J. NH~4~CdF~3~: Structure of the low temperature phase Physica B: Condensed Matter 162(3) (1990) 231-236
Space group: P n m a
Cell volume: 338.3
Cell parameters: 6.1791; 8.8786; 6.1655; 90; 90; 90;  

COD ID: 1000098
CIF file Formula: - Al F6 Na Sr -
Comments: Hemon, A; Le Bail, A; Courbion, G Synthesis and crystal structure of NaSrAlF~6~ European Journal of Solid State Inorganic Chemistry 27 (1990) 905-912
Space group: P n a 21
Cell volume: 915.9
Cell parameters: 18.303; 5.3122; 9.42; 90; 90; 90;  

COD ID: 1000099
CIF file Formula: - Cl Co H4 O3 P -
Comments: Marcos, M D; Ibanez, R; Amoros, P; Le Bail, A Layer structure of (CoCl(H~2~PO~2~)) . H~2~O Acta Crystallographica C (39,1983-) 47 (1991) 1152-1155
Space group: P b c a
Cell volume: 920
Cell parameters: 7.416; 13.082; 9.483; 90; 90; 90;  

COD ID: 1000100
CIF file Formula: - F12 Fe2 H6 Mn O3 Pb2 -
Comments: Le Bail, A; Mercier, A M Structure of Pb~2~MnFe~2~F~12~(H~2~O)~2~ Acta Crystallographica C (39,1983-) 48 (1992) 239-241
Space group: P -6 2 m
Cell volume: 298
Cell parameters: 9.32; 9.32; 3.9618; 90; 90; 120;  

COD ID: 1000101
CIF file Formula: - Co3 H4 O10 P2 -
Comments: Pizarro, J L; Villeneuve, G; Hagenmuller, P; Le Bail, A Synthesis, crystal structure, and magnetic properties of Co~3~(HPO~4~)~2~(OH)~2~ related to the mineral lazulite Journal of Solid State Chemistry 92 (1991) 273-285
Space group: P 1 21/n 1
Cell volume: 370
Cell parameters: 7.531; 7.516; 7.7; 90; 121.91; 90;  

COD ID: 1000102
CIF file Formula: - Co3 H4 O10 P2 -
Comments: Pizarro, J L; Villeneuve, G; Hagenmuller, P; Le Bail, A Synthesis, crystal structure, and magnetic properties of Co~3~(HPO~4~)~2~(OH)~2~ related to the mineral lazulite Journal of Solid State Chemistry 92 (1991) 273-285
Space group: P 1 21/n 1
Cell volume: 366.1
Cell parameters: 7.5024; 7.4896; 7.6716; 90; 121.864; 90;  

COD ID: 7015730
CIF file Formula: - C27 H36 N6 -
Comments: Godau, Tom; Bleifuß, Sascha M; Müller, Astrid L; Roth, Thomas; Hoffmann, Susanne; Heinemann, Frank W.; Burzlaff, Nicolai Cu(i) catalysed cyclopropanation with enantiopure scorpionate type ligands derived from (+)-camphor or (-)-menthone. Dalton transactions (Cambridge, England : 2003) 40(24) (2011) 6547-6554
Space group: C 1 2 1
Cell volume: 2553.1
Cell parameters: 25.4805; 7.7565; 17.8684; 90; 133.701; 90;  

COD ID: 1000103
CIF file Formula: - Al2 Ca F9 K -
Comments: Hemon, A; Le Bail, A; Courbion, G Crystal structure approach of KCaAl~2~F~9~. A new hexagonaltungsten- bronze related structure European Journal of Solid State Inorganic Chemistry 30 (1993) 415-426
Space group: C 2 2 21
Cell volume: 2002
Cell parameters: 12.343; 7.152; 22.679; 90; 90; 90;  

COD ID: 1000104
CIF file Formula: - Al Ba3 F9 -
Comments: Le Bail, A $-beta-Ba~3~AlF~9~, a complex structure determined from conventional X- ray powder diffraction Journal of Solid State Chemistry 103 (1993) 287-291
Space group: P n c 2
Cell volume: 1631.9
Cell parameters: 7.5318; 14.8674; 14.5732; 90; 90; 90;  

COD ID: 1000105
CIF file Formula: - F24 Fe2 Mn Pb8 -
Comments: Le Bail, A; Mercier, A M Crystal structure of Pb~8~MnFe~2~F~24~ European Journal of Solid State Inorganic Chemistry 29 (1992) 183-190
Space group: P 1 21/a 1
Cell volume: 1034.9
Cell parameters: 20.181; 5.625; 9.438; 90; 105; 90;  

COD ID: 1000106
CIF file Formula: - Al Cs F4 -
Comments: Bentrup, U; Le Bail, A; Duroy, H; Fourquet, J L Polymorphism of CsAlF~4~.Synthesis and structure of two new crystalline forms European Journal of Solid State Inorganic Chemistry 29 (1992) 371-381
Space group: I -4 c 2
Cell volume: 1865.4
Cell parameters: 11.8101; 11.8101; 13.3741; 90; 90; 90;  

COD ID: 1000107
CIF file Formula: - Al Cs F4 -
Comments: Bentrup, U; Le Bail, A; Duroy, H; Fourquet, J L Polymorphism of CsAlF~4~.Synthesis and structure of two new crystalline forms European Journal of Solid State Inorganic Chemistry 29 (1992) 371-381
Space group: P n m a
Cell volume: 1253.9
Cell parameters: 10.5576; 6.75; 17.5954; 90; 90; 90;  

COD ID: 1000108
CIF file Formula: - Ba F10 H4 O2 Zr2 -
Comments: Gao, Y; Guery, J; Le Bail, A; Jacoboni, C Synthesis,X-ray single-crystal structure determination and dehydration study of BaZr~2~F~10~ . 2H~2~O by X-ray powder thermodiffractometry Journal of Solid State Chemistry 98 (1992) 11-24
Space group: P n a m
Cell volume: 919.4
Cell parameters: 7.8974; 7.9076; 14.7227; 90; 90; 90;  

COD ID: 7015729
CIF file Formula: - C37 H40 Ag F3 N4 O7 S -
Comments: Burrows, Andrew D.; Kelly, David J.; Mahon, Mary F.; Raithby, Paul R.; Richardson, Christopher; Stevenson, Anna J. Silver coordination networks and cages based on a semi-rigid bis(isoxazolyl) ligand. Dalton transactions (Cambridge, England : 2003) 40(20) (2011) 5483-5493
Space group: C 1 2/c 1
Cell volume: 3864.53
Cell parameters: 21.676; 11.341; 15.751; 90; 93.566; 90;  

COD ID: 1000109
CIF file Formula: - Al2 F9 H5 K2 O2 -
Comments: Le Bail, A; Duroy, H; Fourquet, J L Crystal structure and thermolysis of K~2~(H~5~O~2~)Al~2~F~9~ Journal of Solid State Chemistry 98 (1992) 151-158
Space group: P b a m
Cell volume: 480.9
Cell parameters: 11.5418; 11.3437; 3.6733; 90; 90; 90;  

COD ID: 1000110
CIF file Formula: - Al F3 -
Comments: Le Bail, A; Fourquet, J L; Bentrup, U t-AlF~3~: crystal structure determination from X-ray powder diffraction data. A new MX~3~ corner-sharing octahedra 3D network Journal of Solid State Chemistry 100 (1992) 151-159
Space group: P 4/n m m :2
Cell volume: 744.1
Cell parameters: 10.1843; 10.1843; 7.1738; 90; 90; 90;  

COD ID: 1000111
CIF file Formula: - Bi2 Li8 O10 Pd -
Comments: Laligant, Y; Le Bail, A Synthesis and crystal structure of Li~8~Bi~2~PdO~10~ from X-ray powder diffraction data European Journal of Solid State Inorganic Chemistry 30 (1993) 689-698
Space group: C 1 2/m 1
Cell volume: 435.6
Cell parameters: 9.7308; 4.2042; 11.0656; 90; 105.781; 90;  

COD ID: 1000112
CIF file Formula: - H0.572 O2 Ti0.858 -
Comments: Le Bail, A; Fourquet, J L Crystal structure and thermal behaviour of H~2~Ti~3~O~7~: a new defective ramsdellite form from Li^+^/H^+^ exchange on Li~2~Ti~3~O~7~ Materials Research Bulletin 27 (1992) 75-85
Space group: P n m a
Cell volume: 133.4
Cell parameters: 9.7689; 2.9212; 4.6745; 90; 90; 90;  

COD ID: 1000113
CIF file Formula: - H5 N O6 P V -
Comments: Amoros, P; Le Bail, A Synthesis and crystal structure of $-alpha-NH~4~(VO~2~)(HPO~4~) Journal of Solid State Chemistry 97 (1992) 283-291
Space group: P b 21 a
Cell volume: 556
Cell parameters: 6.83; 9.233; 8.817; 90; 90; 90;  

COD ID: 7015728
CIF file Formula: - C36 H40 Ag F6 N4 O4 Sb -
Comments: Burrows, Andrew D.; Kelly, David J.; Mahon, Mary F.; Raithby, Paul R.; Richardson, Christopher; Stevenson, Anna J. Silver coordination networks and cages based on a semi-rigid bis(isoxazolyl) ligand. Dalton transactions (Cambridge, England : 2003) 40(20) (2011) 5483-5493
Space group: C 1 2/c 1
Cell volume: 3852.31
Cell parameters: 21.722; 11.465; 15.482; 90; 92.394; 90;  

COD ID: 1000114
CIF file Formula: - Al6 Ba7.092 Cl2 F33 K2.908 -
Comments: Le Bail, A; Hemon-Ribaud, A; Courbion, G Synthesis and structure approach of K~3~Ba~7~Al~6~F~33~Cl~2~ Journal of Solid State Chemistry 107 (1993) 234-244
Space group: P -3 m 1
Cell volume: 2353
Cell parameters: 18.863; 18.863; 7.636; 90; 90; 120;  

COD ID: 1000115
CIF file Formula: - H14 O30 P8 Zn11 -
Comments: Marcos, M D; Amoros, P; Le Bail, A Synthesis and crystal structure of a tubular hydroxyphosphite: Zn~11~(HPO~3~)~8~(OH)~6~ Journal of Solid State Chemistry 107 (1993) 250-257
Space group: P 63 m c
Cell volume: 714.2
Cell parameters: 12.872; 12.872; 4.9772; 90; 90; 120;  

COD ID: 1000116
CIF file Formula: - O5 Tl0.5 V2 -
Comments: Ganne, M; Jouanneaux, A; Tournoux, M; Le Bail, A Structure and phase transitions of low-dimensional thallium vanadium bronze Tl~x~V~2~O~5~ (0.44<=x<=0.48) Journal of Solid State Chemistry 97 (1992) 186-198
Space group: C 1 2/m 1
Cell volume: 404.8
Cell parameters: 11.609; 3.6877; 9.629; 90; 100.9; 90;  

COD ID: 1000117
CIF file Formula: - Cu2 Li3 O4 -
Comments: Berger, R; Oennerud, P; Laligant, Y; Le Bail, A The structure of Li3 Cu2 O4, a compound with formal mixed valence Journal of Alloys Compd. 190 (1993) 295-299
Space group: C 1 2/m 1
Cell volume: 175.3
Cell parameters: 9.946; 2.778; 7.26; 90; 119.1; 90;  

COD ID: 1000118
CIF file Formula: - H6 O6 P2 V -
Comments: Le Bail, A; Marcos, M D; Amoros, P Ab initio crystal structure determination of V O (H2 P O2) .(H2 O) from X-ray and neutron powder diffraction data. A monodimensional vanadium(IV) hypophosphite Inorganic Chemistry 33 (1994) 2607-2613
Space group: C 1 2/c 1
Cell volume: 629.4
Cell parameters: 12.046; 8.147; 7.548; 90; 121.83; 90;  

COD ID: 7015727
CIF file Formula: - C45 H50 Ag F6 N5 O5 Sb -
Comments: Burrows, Andrew D.; Kelly, David J.; Mahon, Mary F.; Raithby, Paul R.; Richardson, Christopher; Stevenson, Anna J. Silver coordination networks and cages based on a semi-rigid bis(isoxazolyl) ligand. Dalton transactions (Cambridge, England : 2003) 40(20) (2011) 5483-5493
Space group: P -1
Cell volume: 2293.51
Cell parameters: 13.53; 14.301; 14.367; 103.86; 113.574; 103.746;  

COD ID: 1000119
CIF file Formula: - H6 O6 P2 V -
Comments: Le Bail, A; Marcos, M D; Amoros, P Ab initio crystal structure determination of V O (H2 P O2) .(H2 O) from X-ray and neutron powder diffraction data. A monodimensional vanadium(IV) hypophosphite Inorganic Chemistry 33 (1994) 2607-2613
Space group: C 1 2/c 1
Cell volume: 633.4
Cell parameters: 12.179; 8.096; 7.638; 90; 122.75; 90;  

COD ID: 1000120
CIF file Formula: - H6 O6 P2 V -
Comments: Le Bail, A; Marcos, M D; Amoros, P Ab initio crystal structure determination of V O (H2 P O2) .(H2 O) from X-ray and neutron powder diffraction data. A monodimensional vanadium(IV) hypophosphite Inorganic Chemistry 33 (1994) 2607-2613
Space group: C 1 2/c 1
Cell volume: 636.9
Cell parameters: 12.195; 8.111; 7.651; 90; 122.69; 90;  

COD ID: 1000121
CIF file Formula: - H6 O6 P2 V -
Comments: Le Bail, A; Marcos, M D; Amoros, P Ab initio crystal structure determination of V O (H2 P O2) .(H2 O) from X-ray and neutron powder diffraction data. A monodimensional vanadium(IV) hypophosphite Inorganic Chemistry 33 (1994) 2607-2613
Space group: C 1 2/c 1
Cell volume: 636.6
Cell parameters: 12.262; 8.069; 7.702; 90; 123.34; 90;  

COD ID: 1000122
CIF file Formula: - Ba F5 Fe -
Comments: Le Bail, A; Mercier, A M Helical octahedral cis chains in $-alpha'-Ba Fe F5 European Journal of Solid State Inorganic Chemistry 32 (1995) 15-24
Space group: P 1 21/n 1
Cell volume: 856.9
Cell parameters: 9.532; 7.901; 11.398; 90; 93.45; 90;  

COD ID: 1000123
CIF file Formula: - Fe4 Mo3.02 O20 V1.98 -
Comments: Laligant, Y; Permer, L; Le Bail, A Crystal structure of Fe4 V2 Mo3 O20 determined from conventional X-ray powder diffraction data European Journal of Solid State Inorganic Chemistry 32 (1995) 325-334
Space group: P 41 2 2
Cell volume: 1559.7
Cell parameters: 9.539; 9.539; 17.1411; 90; 90; 90;  

COD ID: 7015726
CIF file Formula: - C45 H50 Ag F6 N5 O5 P -
Comments: Burrows, Andrew D.; Kelly, David J.; Mahon, Mary F.; Raithby, Paul R.; Richardson, Christopher; Stevenson, Anna J. Silver coordination networks and cages based on a semi-rigid bis(isoxazolyl) ligand. Dalton transactions (Cambridge, England : 2003) 40(20) (2011) 5483-5493
Space group: P -1
Cell volume: 2260.62
Cell parameters: 13.562; 14.2; 14.246; 103.616; 113.747; 103.917;  

COD ID: 1000124
CIF file Formula: - Fe Mo O7 V -
Comments: Le Bail, A; Permer, L; Laligant, Y Structure of Fe V Mo O7 European Journal of Solid State Inorganic Chemistry 32 (1995) 883-892
Space group: P -1
Cell volume: 286.4
Cell parameters: 5.5703; 6.6741; 7.9032; 96.174; 90.26; 101.273;  

COD ID: 1000125
CIF file Formula: - Al F4 K -
Comments: Gibaud, A; Le Bail, A; Bulou, A A re-investigation of the room-temperature phase of K Al F4: evidence of antiphase domains Journal of Physics C 19 (1986) 4623-4633
Space group: P 4/m b m
Cell volume: 156.5
Cell parameters: 5.0424; 5.0424; 6.1564; 90; 90; 90;  

COD ID: 1000126
CIF file Formula: - Al F4 K -
Comments: Gibaud, A; Le Bail, A; Bulou, A A re-investigation of the room-temperature phase of K Al F4: evidence of antiphase domains Journal of Physics C 19 (1986) 4623-4633
Space group: P 4/m b m
Cell volume: 156.6
Cell parameters: 5.0431; 5.0431; 6.1567; 90; 90; 90;  

COD ID: 1000127
CIF file Formula: - Al F4 K -
Comments: Gibaud, A; Le Bail, A; Bulou, A A re-investigation of the room-temperature phase of K Al F4: evidence of antiphase domains Journal of Physics C 19 (1986) 4623-4633
Space group: P 4/m b m
Cell volume: 156.6
Cell parameters: 5.0432; 5.0432; 6.1573; 90; 90; 90;  

COD ID: 1000128
CIF file Formula: - Cr2 H12 N4 O7 Pd -
Comments: Laligant, Y; Le Bail, A Structure of (Pd (N H3)4) Cr2 O7 Powder Diffraction 10(3) (1995) 159-164
Space group: P 1 21/c 1
Cell volume: 1027.6
Cell parameters: 7.771; 11.578; 11.852; 90; 105.5; 90;  

COD ID: 1000129
CIF file Formula: - Al Ba F5 -
Comments: Le Bail, A; Ferey, G; Mercier, A - M; de Kozak, A; Samouel, M Structure determination of $-beta- and $-gamma-Ba Al F5 by X-ray and neutron powder diffraction: a model for the $-alpha - $-beta - $-gamma transitions Journal of Solid State Chemistry 89 (1990) 282-291
Space group: P 21 21 21
Cell volume: 379.3
Cell parameters: 13.7168; 5.6054; 4.9329; 90; 90; 90;  

COD ID: 7015725
CIF file Formula: - C117.6 H144 Ag4 B4 F16 N12 O14.4 -
Comments: Burrows, Andrew D.; Kelly, David J.; Mahon, Mary F.; Raithby, Paul R.; Richardson, Christopher; Stevenson, Anna J. Silver coordination networks and cages based on a semi-rigid bis(isoxazolyl) ligand. Dalton transactions (Cambridge, England : 2003) 40(20) (2011) 5483-5493
Space group: P 63/m
Cell volume: 6350.52
Cell parameters: 14.396; 14.396; 35.383; 90; 90; 120;  

COD ID: 1000130
CIF file Formula: - Al Ba F5 -
Comments: Le Bail, A; Ferey, G; Mercier, A - M; de Kozak, A; Samouel, M Structure determination of $-beta- and $-gamma-Ba Al F5 by X-ray and neutron powder diffraction: a model for the $-alpha - $-beta - $-gamma transitions Journal of Solid State Chemistry 89 (1990) 282-291
Space group: P 1 21/n 1
Cell volume: 761
Cell parameters: 5.1517; 19.56659; 7.5567; 90; 92.426; 90;  

COD ID: 1000131
CIF file Formula: - Al Ba F5 -
Comments: Le Bail, A; Ferey, G; Mercier, A - M; de Kozak, A; Samouel, M Structure determination of $-beta- and $-gamma-Ba Al F5 by X-ray and neutron powder diffraction: a model for the $-alpha - $-beta - $-gamma transitions Journal of Solid State Chemistry 89 (1990) 282-291
Space group: P 1 21 1
Cell volume: 377
Cell parameters: 5.2584; 9.7298; 7.3701; 90; 90.875; 90;  

COD ID: 1000132
CIF file Formula: - Ba F6 H0.075 O0.0375 Zr -
Comments: Le Bail, A; Mercier, A M Synthesis and crystal structure of $-gamma-Ba Zr F6 Journal of Solid State Chemistry 101 (1992) 229-236
Space group: C 1 2/c 1
Cell volume: 1961.9
Cell parameters: 13.193; 7.499; 19.83899; 90; 91.69; 90;  

COD ID: 1000133
CIF file Formula: - H4 N2 O8 Pd -
Comments: Laligant, Y; Ferey, G; Le Bail, A Crystal structure of Pd (N O3)2 (H2 O)2 Materials Research Bulletin 26 (1991) 269-275
Space group: P b c a
Cell volume: 622.2
Cell parameters: 5.0036; 10.6073; 11.7223; 90; 90; 90;  

COD ID: 1000134
CIF file Formula: - Ba Hg O5 Ru -
Comments: Hansen, T; Le Bail, A; Laligant, Y Synthesis and structure approach of barium-oxomercurato(II)- oxoruthenate(VI) Ba Hg Ru O5 Journal of Solid State Chemistry 120 (1995) 223-230
Space group: P 63/m
Cell volume: 754.4
Cell parameters: 10.176; 10.176; 8.4121; 90; 90; 120;  

COD ID: 7015724
CIF file Formula: - C42 H43 Ag2 F6 N5 O8 -
Comments: Burrows, Andrew D.; Kelly, David J.; Mahon, Mary F.; Raithby, Paul R.; Richardson, Christopher; Stevenson, Anna J. Silver coordination networks and cages based on a semi-rigid bis(isoxazolyl) ligand. Dalton transactions (Cambridge, England : 2003) 40(20) (2011) 5483-5493
Space group: P -1
Cell volume: 2187.07
Cell parameters: 10.718; 11.26; 20.766; 75.779; 81.104; 64.377;  

COD ID: 1000135
CIF file Formula: - F22 Sr5 Zr3 -
Comments: Le Bail, A Structure of Sr5 Zr3 F22 determined from an inversion twinned crystal European Journal of Solid State Inorganic Chemistry 33 (1996) 1211-1222
Space group: P 21 21 2
Cell volume: 809.6
Cell parameters: 7.655; 10.313; 10.255; 90; 90; 90;  

COD ID: 1000136
CIF file Formula: - H2 K2 O10 Si3 Ti -
Comments: Dadachov, M S; Le Bail, A Structure of zeolitic K2 Ti Si3 O9 . (H2 O) determined ab initio from powder diffraction data European Journal of Solid State Inorganic Chemistry 34 (1997) 381-390
Space group: P 21 21 21
Cell volume: 915.1
Cell parameters: 7.1362; 9.9084; 12.9414; 90; 90; 90;  

COD ID: 1000137
CIF file Formula: - Cu3 H6 O11 V2 -
Comments: Lafontaine, M A; Le Bail, A; Ferey, G Copper-containing minerals-I.Cu3 V2 O7 (O H)2 . 2(H2 O): the synthetic homolog of volborthite; crystal structure determination from X-ray and neutron data; structural correlations Journal of Solid State Chemistry 85 (1990) 220-227
Space group: C 1 2/m 1
Cell volume: 447.7
Cell parameters: 10.606; 5.874; 7.213; 90; 94.9; 90;  

COD ID: 1000138
CIF file Formula: - Cu3 H6 O11 V2 -
Comments: Lafontaine, M A; Le Bail, A; Ferey, G Copper-containing minerals-I.Cu3 V2 O7 (O H)2 . 2(H2 O): the synthetic homolog of volborthite; crystal structure determination from X-ray and neutron data; structural correlations Journal of Solid State Chemistry 85 (1990) 220-227
Space group: C 1 2/m 1
Cell volume: 447.1
Cell parameters: 10.607; 5.864; 7.214; 90; 94.88; 90;  

COD ID: 7015723
CIF file Formula: - C20.5 H22 Ag F3 N2 O4.5 -
Comments: Burrows, Andrew D.; Kelly, David J.; Mahon, Mary F.; Raithby, Paul R.; Richardson, Christopher; Stevenson, Anna J. Silver coordination networks and cages based on a semi-rigid bis(isoxazolyl) ligand. Dalton transactions (Cambridge, England : 2003) 40(20) (2011) 5483-5493
Space group: P -1
Cell volume: 1082.09
Cell parameters: 10.347; 10.843; 11.292; 64.703; 70.872; 82.471;  

COD ID: 1000139
CIF file Formula: - Ba F5 Ga H4 O2 -
Comments: Jouanneaux, A; Le Bail, A Structure of Ba Ga F5 . 2(H2 O) from conventional and synchrotron powder diffraction data European Journal of Solid State Inorganic Chemistry 34 (1997) 925-936
Space group: P 1 21/m 1
Cell volume: 283.1
Cell parameters: 10.0626; 5.807; 4.9788; 90; 103.359; 90;  

COD ID: 1000140
CIF file Formula: - Ca H2 Na2 O8 P2 -
Comments: Ben Chaabane, T; Smiri-Dogguy, L; Laligant, Y; Le Bail, A Structure of Na2 Ca (H P O4)2 determined ab initio from conventional powder diffraction data European Journal of Solid State Inorganic Chemistry 34 (1997) 937-946
Space group: P 1 21 1
Cell volume: 350.2
Cell parameters: 9.0652; 7.1468; 5.47; 90; 98.782; 90;  

COD ID: 1000141
CIF file Formula: - Li O3 Sb -
Comments: Fourquet, J L; Gillet, P A; Le Bail, A Li+ / H+ topotactic exchange on Li Sb O3: The series Li(1-x) Hx Sb O3 (0<=x<=1). Materials Research Bulletin 24 (1989) 1207-1214
Space group: P n c n
Cell volume: 215.6
Cell parameters: 4.9005; 8.4892; 5.1816; 90; 90; 90;  

COD ID: 1000142
CIF file Formula: - H0.6 Li0.4 O3 Sb -
Comments: Fourquet, J L; Gillet, P A; Le Bail, A Li+ / H+ topotactic exchange on Li Sb O3: The series Li(1-x) Hx Sb O3 (0<=x<=1). Materials Research Bulletin 24 (1989) 1207-1214
Space group: P n c n
Cell volume: 214
Cell parameters: 4.726; 8.659; 5.2306; 90; 90; 90;  

COD ID: 1000143
CIF file Formula: - H0.67 Li0.33 O3 Sb -
Comments: Fourquet, J L; Gillet, P A; Le Bail, A Li+ / H+ topotactic exchange on Li Sb O3: The series Li(1-x) Hx Sb O3 (0<=x<=1). Materials Research Bulletin 24 (1989) 1207-1214
Space group: P 1 21/n 1
Cell volume: 214.6
Cell parameters: 5.2526; 4.7331; 8.6322; 90; 90.8; 90;  

COD ID: 1000144
CIF file Formula: - F9 Fe2 Na Pb -
Comments: Le Bail, A Structure determination of Na Pb Fe2 F9 by x-ray powder diffraction Journal of Solid State Chemistry 83 (1989) 267-271
Space group: C 1 2/c 1
Cell volume: 700.2
Cell parameters: 7.308; 12.559; 7.64; 90; 93.06; 90;  

COD ID: 7015722
CIF file Formula: - C18 H20 Ag2 N4 O8 -
Comments: Burrows, Andrew D.; Kelly, David J.; Mahon, Mary F.; Raithby, Paul R.; Richardson, Christopher; Stevenson, Anna J. Silver coordination networks and cages based on a semi-rigid bis(isoxazolyl) ligand. Dalton transactions (Cambridge, England : 2003) 40(20) (2011) 5483-5493
Space group: P c a b
Cell volume: 2094.55
Cell parameters: 7.389; 15.962; 17.759; 90; 90; 90;  

COD ID: 1000145
CIF file Formula: - H2 Na5 O15 P3 V2 -
Comments: Le Bail, A On the structure of Na5 V2 P3 O14 . (H2 O) Journal of Solid State Chemistry 102 (1993) 281-282
Space group: C 1 m 1
Cell volume: 648.9
Cell parameters: 6.3089; 20.10379; 5.1172; 90; 91.134; 90;  

COD ID: 1000146
CIF file Formula: - Al3 F12 Na Rb2 -
Comments: Le Bail, A.; Gao, Y.; Fourquet, J. L.; Jacoboni, C. J. Structure determination of A2 Na Al3 F12 (A= K, Rb) Materials Research Bulletin 25 (1990) 831-839
Space group: P 1 21/m 1
Cell volume: 488.6
Cell parameters: 12.046; 6.984; 7.093; 90; 125.04; 90;  

COD ID: 1000147
CIF file Formula: - Al3 F12 K2 Na -
Comments: Le Bail, A.; Gao, Y.; Fourquet, J. L.; Jacoboni, C. J. Structure determination of A2 Na Al3 F12 (A= K, Rb) Materials Research Bulletin 25 (1990) 831-839
Space group: P 1 21/m 1
Cell volume: 670.8
Cell parameters: 11.882; 6.983; 6.942; 90; 125.59; 90;  

COD ID: 1000148
CIF file Formula: - Li6 O18 P6 -
Comments: Ben-Chaabane, T.; Smiri-Dogguy, L.; Laligant, Y.; Le Bail, A. Li~6~P~6~O~18~: X-ray powder structure determination of lithium cyclohexaphosphate European Journal of Solid State and Inorganic Chemistry 35(3) (1998) 255-264
Space group: P 1 21/n 1
Cell volume: 714.4
Cell parameters: 7.9911; 17.03189; 5.3208; 90; 99.433; 90;  

COD ID: 1000149
CIF file Formula: - Al Ca F6 Na -
Comments: Le Bail, A.; Hemon-Ribaud, A.; Courbion, G. Structure of α-NaCaAlF~6~ determined ab initio from conventional powder diffraction data European Journal of Solid State and Inorganic Chemistry 35(3) (1998) 265-272
Space group: P 1 21/c 1
Cell volume: 923.6
Cell parameters: 8.7423; 5.1927; 20.35139; 90; 91.499; 90;  

COD ID: 1000150
CIF file Formula: - Ba2 F8 Zr -
Comments: Le Bail, A.; Laval, J.-P. Synthesis and crystal structure of α-Ba~2~ZrF~8~ and Pb~2~ZrF~8~ determined ab initio from synchrotron and neutron powder diffraction data European Journal of Solid State and Inorganic Chemistry 35(4-5) (1998) 357-372
Space group: P n m a
Cell volume: 650.1
Cell parameters: 9.7401; 5.6147; 11.8871; 90; 90; 90;  

COD ID: 1000151
CIF file Formula: - Ba2 F8 Zr -
Comments: Le Bail, A.; Laval, J.-P. Synthesis and crystal structure of α-Ba~2~ZrF~8~ and Pb~2~ZrF~8~ determined ab initio from synchrotron and neutron powder diffraction data European Journal of Solid State and Inorganic Chemistry 35(4-5) (1998) 357-372
Space group: P n m a
Cell volume: 650.4
Cell parameters: 9.7426; 5.6157; 11.8877; 90; 90; 90;  

COD ID: 7015721
CIF file Formula: - C16 H17 Mn N5 O S2 -
Comments: Shin, Jong Won; Rowthu, Sankara Rao; Hyun, Min Young; Song, Young Joo; Kim, Cheal; Kim, Bong Gon; Min, Kil Sik Monomeric, trimeric, and tetrameric transition metal complexes (Mn, Fe, Co) containing N,N-bis(2-pyridylmethyl)-2-aminoethanol/-ate: preparation, crystal structure, molecular magnetism and oxidation catalysis. Dalton transactions (Cambridge, England : 2003) 40(21) (2011) 5762-5773
Space group: P 1 21 1
Cell volume: 946.3
Cell parameters: 8.3632; 11.6074; 9.7721; 90; 93.997; 90;  

COD ID: 1000152
CIF file Formula: - Ba2 F8 Zr -
Comments: Le Bail, A.; Laval, J.-P. Synthesis and crystal structure of α-Ba~2~ZrF~8~ and Pb~2~ZrF~8~ determined ab initio from synchrotron and neutron powder diffraction data European Journal of Solid State and Inorganic Chemistry 35(4-5) (1998) 357-372
Space group: P n m a
Cell volume: 650.1
Cell parameters: 9.7401; 5.6167; 11.8839; 90; 90; 90;  

COD ID: 1000153
CIF file Formula: - Ba2 F8 Zr -
Comments: Le Bail, A.; Laval, J.-P. Synthesis and crystal structure of α-Ba~2~ZrF~8~ and Pb~2~ZrF~8~ determined ab initio from synchrotron and neutron powder diffraction data European Journal of Solid State and Inorganic Chemistry 35(4-5) (1998) 357-372
Space group: P n m a
Cell volume: 651.5
Cell parameters: 9.7472; 5.6173; 11.8995; 90; 90; 90;  

COD ID: 1000154
CIF file Formula: - F8 Pb2 Zr -
Comments: Le Bail, A.; Laval, J.-P. Synthesis and crystal structure of α-Ba~2~ZrF~8~ and Pb~2~ZrF~8~ determined ab initio from synchrotron and neutron powder diffraction data European Journal of Solid State and Inorganic Chemistry 35(4-5) (1998) 357-372
Space group: P n m a
Cell volume: 626.2
Cell parameters: 10.08; 5.3262; 11.6637; 90; 90; 90;  

COD ID: 1000155
CIF file Formula: - D7 La Ni5 -
Comments: Lartigue, C; Le Bail, A; Percheron Guegan, A A new study of the structure of La Ni5 D6.7 using a modified Rietveld method for the refinement of neutron powder diffraction data Journal of the Less-Common Metals 129 (1987) 65-76
Space group: P 63 m c
Cell volume: 217.9
Cell parameters: 5.409; 5.409; 8.6; 90; 90; 120;  

COD ID: 1000156
CIF file Formula: - D7 La Ni5 -
Comments: Lartigue, C; Le Bail, A; Percheron Guegan, A A new study of the structure of La Ni5 D6.7 using a modified Rietveld method for the refinement of neutron powder diffraction data Journal of the Less-Common Metals 129 (1987) 65-76
Space group: P 63 m c
Cell volume: 217.9
Cell parameters: 5.409; 5.409; 8.6; 90; 90; 120;  

COD ID: 7015720
CIF file Formula: - C14 H16 Mn N9 O -
Comments: Shin, Jong Won; Rowthu, Sankara Rao; Hyun, Min Young; Song, Young Joo; Kim, Cheal; Kim, Bong Gon; Min, Kil Sik Monomeric, trimeric, and tetrameric transition metal complexes (Mn, Fe, Co) containing N,N-bis(2-pyridylmethyl)-2-aminoethanol/-ate: preparation, crystal structure, molecular magnetism and oxidation catalysis. Dalton transactions (Cambridge, England : 2003) 40(21) (2011) 5762-5773
Space group: P 1 21/c 1
Cell volume: 1569.3
Cell parameters: 8.6742; 13.3698; 13.6701; 90; 98.15; 90;  

COD ID: 1000157
CIF file Formula: - Cr F6 Mn Na -
Comments: Courbion, G; Jacoboni, C; de Pape, R La structure cristalline de Na Mn Cr F~6~ Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1405-1408
Space group: P 3 2 1
Cell volume: 350.4
Cell parameters: 8.993; 8.993; 5.003; 90; 90; 120;  

COD ID: 1000158
CIF file Formula: - Cr F5 Mn -
Comments: Ferey, G; de Pape, R; Poulain, M; Grandjean, D; Hardy, A La structure cristalline de Mn Cr F~5~ Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1409-1413
Space group: C 1 2/c 1
Cell volume: 360
Cell parameters: 8.586; 6.291; 7.381; 90; 115.46; 90;  

COD ID: 1000159
CIF file Formula: - Cr F5 Mn -
Comments: Ferey, G; de Pape, R; Boucher, B Structure magnetique du fluorure antiferromagnetique Mn Cr F~5~ Acta Crystallographica B (24,1968-38,1982) 34 (1978) 1084-1091
Space group: C 1 2/c 1
Cell volume: 371.3
Cell parameters: 8.856; 6.291; 7.381; 90; 115.46; 90;  

COD ID: 1000160
CIF file Formula: - Cr F5 Mn -
Comments: Ferey, G; de Pape, R; Boucher, B Structure cristalline du fluorure antiferromagnetique Mn Cr F~5~ Acta Crystallographica B (24,1968-38,1982) 34 (1978) 1084-1091
Space group: C 1 2/c 1
Cell volume: 371.3
Cell parameters: 8.856; 6.291; 7.381; 90; 115.46; 90;  

COD ID: 1000161
CIF file Formula: - Cr F5 Rb2 -
Comments: Jacoboni, C; de Pape, R; Poulain, M; le Marouille, J Y; Grandjean, D La structure cristalline de Rb~2~ Cr F~5~ Acta Crystallographica B (24,1968-38,1982) 30 (1974) 2688-2691
Space group: P n m a
Cell volume: 515.5
Cell parameters: 7.515; 5.724; 11.985; 90; 90; 90;  

COD ID: 1000162
CIF file Formula: - F3 Fe K0.6 -
Comments: Hardy, A M; Hardy, A M; Ferey, G Structure cristalline du bronze pseudo-quadratique K~0.6~ Fe F~3~: Transition pyrochlore-quadratique pour les composes K M M'~6~ Acta Crystallographica B (24,1968-38,1982) 29 (1973) 1654-1658
Space group: P b a 2
Cell volume: 642.2
Cell parameters: 12.75; 12.637; 3.986; 90; 90; 90;  

COD ID: 1000163
CIF file Formula: - F Nb2 O5 Tl -
Comments: Fourquet, J L; Jacoboni, C; de Pape, R Localisation des ions mobiles Tl(I) dans le conducteur ionique Tl Nb~2~ O~5~ F de type pyrochlore Acta Crystallographica B (24,1968-38,1982) 35 (1979) 1570-1573
Space group: F d -3 m :2
Cell volume: 1159.6
Cell parameters: 10.506; 10.506; 10.506; 90; 90; 90;  

COD ID: 1000164
CIF file Formula: - Al1.5 Cs F6 Na0.5 -
Comments: Courbion, G; Jacoboni, C; de Pape, R Ordre cationique 0.333 dans les pyrochlores: A(I) (M(I)~0.5~ Al~1.5~) F~6~ (M= Li, Na, K, Rb) Materials Research Bulletin 9 (1974) 425-434
Space group: R -3 m :R
Cell volume: 259.9
Cell parameters: 7.31; 7.31; 7.31; 57.43; 57.43; 57.43;  

COD ID: 7015719
CIF file Formula: - C16 H17 Fe N5 O S2 -
Comments: Shin, Jong Won; Rowthu, Sankara Rao; Hyun, Min Young; Song, Young Joo; Kim, Cheal; Kim, Bong Gon; Min, Kil Sik Monomeric, trimeric, and tetrameric transition metal complexes (Mn, Fe, Co) containing N,N-bis(2-pyridylmethyl)-2-aminoethanol/-ate: preparation, crystal structure, molecular magnetism and oxidation catalysis. Dalton transactions (Cambridge, England : 2003) 40(21) (2011) 5762-5773
Space group: P 1 21/n 1
Cell volume: 1904
Cell parameters: 8.4629; 11.5128; 19.611; 90; 94.807; 90;  

COD ID: 1000165
CIF file Formula: - Al1.5 Cs F6 Li0.5 -
Comments: Courbion, G; Jacoboni, C; de Pape, R Ordre cationique 0.333 dans les pyrochlores: A(I) (M(I)~0.5~ Al~1.5~) F~6~ (M= Li, Na, K, Rb) Materials Research Bulletin 9 (1974) 425-434
Space group: R -3 m :R
Cell volume: 246.8
Cell parameters: 7.106; 7.106; 7.106; 58.8; 58.8; 58.8;  

COD ID: 1000166
CIF file Formula: - Al F4 K -
Comments: Mouet, J; Pannetier, J; Fourquet, J L The Room-Temperature Structure of Potassium Tetrafluoroaluminate Acta Crystallographica B (24,1968-38,1982) 37 (1981) 32-34
Space group: P 4/m b m
Cell volume: 156.8
Cell parameters: 5.043; 5.043; 6.164; 90; 90; 90;  

COD ID: 1000167
CIF file Formula: - F6 Li2 Ti -
Comments: Portier, J; Tressaud, A; Menil, F; Claverie, J; de Pape, R; Hagenmueller, P Sur quelques composes fluores a structure rutile et trirutile Journal of Solid State Chemistry 1 (1969) 100-102
Space group: P 42/m n m
Cell volume: 191.5
Cell parameters: 4.63; 4.63; 8.935; 90; 90; 90;  

COD ID: 1000168
CIF file Formula: - Ba2 F10 Ni3 -
Comments: Leblanc, M; Ferey, G; de Pape, R Crystal Structure and Magnetic Properties of Ba~2~ Ni~3~ F~10~ Journal of Solid State Chemistry 33 (1980) 317-324
Space group: C 1 2/m 1
Cell volume: 801.5
Cell parameters: 18.542; 5.958; 7.821; 90; 111.92; 90;  

COD ID: 1000169
CIF file Formula: - F Nb2 O5 Tl -
Comments: Ory, G; Fourquet, J L; Jacoboni, C; Miranday, J P; de Pape, R Localisation des cations monovalents dans les pyrochlores A B~2~ X~6~ (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions cristallohraphique dans le cas du thallium Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 273 (1971) 747-750
Space group: F d -3 m :2
Cell volume: 1159.6
Cell parameters: 10.506; 10.506; 10.506; 90; 90; 90;  

COD ID: 1000170
CIF file Formula: - F2 Nb O4 Ti Tl -
Comments: Ory, G; Fourquet, J L; Jacoboni, C; Miranday, J P; de Pape, R Localisation des cations monovalents dans les pyrochlores A B~2~ X~6~ (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions cristallographiques dans le cas du thallium Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 273 (1971) 747-750
Space group: F d -3 m :2
Cell volume: 1113.5
Cell parameters: 10.365; 10.365; 10.365; 90; 90; 90;  

COD ID: 7015718
CIF file Formula: - C16 H17 Co N5 O S2 -
Comments: Shin, Jong Won; Rowthu, Sankara Rao; Hyun, Min Young; Song, Young Joo; Kim, Cheal; Kim, Bong Gon; Min, Kil Sik Monomeric, trimeric, and tetrameric transition metal complexes (Mn, Fe, Co) containing N,N-bis(2-pyridylmethyl)-2-aminoethanol/-ate: preparation, crystal structure, molecular magnetism and oxidation catalysis. Dalton transactions (Cambridge, England : 2003) 40(21) (2011) 5762-5773
Space group: P 1 21/n 1
Cell volume: 1863.6
Cell parameters: 8.4373; 11.4202; 19.3899; 90; 94.095; 90;  

COD ID: 1000171
CIF file Formula: - F O5 Ti Tl W -
Comments: Ory, G; Fourquet, J L; Jacoboni, C; Miranday, J P; de Pape, R Localisation des cations monovalents dans les pyrochlores A B~2~ X~6~ (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions cristallographiques dans le cas du thallium Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 273 (1971) 747-750
Space group: F d -3 m :2
Cell volume: 1074.1
Cell parameters: 10.241; 10.241; 10.241; 90; 90; 90;  

COD ID: 1000172
CIF file Formula: - F Nb2 O5 Rb -
Comments: Ory, G; Fourquet, J L; Jacoboni, C; Miranday, J P; de Pape, R Localisation des cations monovalents dans les pyrochlores A B~2~ X~6~ (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions cristallographiques dans le cas du thallium Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 273 (1971) 747-750
Space group: F d -3 m :2
Cell volume: 1155
Cell parameters: 10.492; 10.492; 10.492; 90; 90; 90;  

COD ID: 1000173
CIF file Formula: - Cs F Nb2 O5 -
Comments: Ory, G; Fourquet, J L; Jacoboni, C; Miranday, J P; de Pape, R Localisation des cations monovalents dans les pyrochlores A B~2~ X~6~ (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions cristallographiques dans le cas du thallium Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 273 (1971) 747-750
Space group: F d -3 m :2
Cell volume: 1165.9
Cell parameters: 10.525; 10.525; 10.525; 90; 90; 90;  

COD ID: 7015717
CIF file Formula: - C28 H32 Co3 N20 O8 -
Comments: Shin, Jong Won; Rowthu, Sankara Rao; Hyun, Min Young; Song, Young Joo; Kim, Cheal; Kim, Bong Gon; Min, Kil Sik Monomeric, trimeric, and tetrameric transition metal complexes (Mn, Fe, Co) containing N,N-bis(2-pyridylmethyl)-2-aminoethanol/-ate: preparation, crystal structure, molecular magnetism and oxidation catalysis. Dalton transactions (Cambridge, England : 2003) 40(21) (2011) 5762-5773
Space group: P 1 2/n 1
Cell volume: 1909.1
Cell parameters: 8.544; 18.177; 12.538; 90; 101.358; 90;  

COD ID: 1000174
CIF file Formula: - F6 Fe2 H4 N -
Comments: Ferey, G; le Blanc, M; de Pape, R Crystal Structure of the Ordered Pyrochlore N H~4~ Fe(II) Fe(III) F~6~ Structural Correlations with Fe~2~ F~5~ (H~2~ O)~2~ and Its Dehydration Product Fe~2~ F~5~ H~2~ O Journal of Solid State Chemistry 40 (1981) 1-7
Space group: P n m a
Cell volume: 531.2
Cell parameters: 7.045; 7.454; 10.116; 90; 90; 90;  

COD ID: 1000175
CIF file Formula: - Al F4 Rb -
Comments: Fourquet, J L; Plet, F; de Pape, R Rb Al F~4~: Structure of Its $-beta Metastable Form and Description of the Mechanism of Its Irreversible and Topotactic Phase Transition $- beta to $-alpha Acta Crystallographica B (24,1968-38,1982) 36 (1980) 1997-2000
Space group: I -4 c 2
Cell volume: 1708.1
Cell parameters: 11.666; 11.666; 12.551; 90; 90; 90;  

COD ID: 1000176
CIF file Formula: - F12 Li3 Na3 Sc2 -
Comments: de Pape, R; Portier, J; Grannec, J; Gauthier, G; Hagenmueller, P Sur quelques nouveaux grenats fluores. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 269 (1969) 1120-1121
Space group: I a -3 d
Cell volume: 2003.7
Cell parameters: 12.607; 12.607; 12.607; 90; 90; 90;  

COD ID: 1000177
CIF file Formula: - F12 In2 Li3 Na3 -
Comments: de Pape, R; Portier, J; Grannec, J; Gauthier, G; Hagenmueller, P Sur quelques nouveaux grenats fluores. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 269 (1969) 1120-1121
Space group: I a -3 d
Cell volume: 2045
Cell parameters: 12.693; 12.693; 12.693; 90; 90; 90;  

COD ID: 1000178
CIF file Formula: - F6 Fe2 Li -
Comments: Portier, J; Tressaud, A; de Pape, R; Hagenmueller, P Etude cristallographique et magnetique d'un fluorure inedit de type trirutile Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 267 (1968) 1711-1713
Space group: P 42/m n m
Cell volume: 202.9
Cell parameters: 4.673; 4.673; 9.29; 90; 90; 90;  

COD ID: 7015716
CIF file Formula: - C15 H19 Fe2 N15 O2 -
Comments: Shin, Jong Won; Rowthu, Sankara Rao; Hyun, Min Young; Song, Young Joo; Kim, Cheal; Kim, Bong Gon; Min, Kil Sik Monomeric, trimeric, and tetrameric transition metal complexes (Mn, Fe, Co) containing N,N-bis(2-pyridylmethyl)-2-aminoethanol/-ate: preparation, crystal structure, molecular magnetism and oxidation catalysis. Dalton transactions (Cambridge, England : 2003) 40(21) (2011) 5762-5773
Space group: P b c a
Cell volume: 4311
Cell parameters: 13.78; 13.921; 22.471; 90; 90; 90;  

COD ID: 1000179
CIF file Formula: - F3 Fe Na0.11 -
Comments: de Pape, R; Tressaud, A; Portier, J Sur de nouvelles series de bronzes fluores de composition M~x~ Fe F~3~ (M = Na, Rb, Tl) Materials Research Bulletin 3 (1968) 753-758
Space group: R -3 c :R
Cell volume: 106.7
Cell parameters: 5.372; 5.372; 5.372; 58.85; 58.85; 58.85;  

COD ID: 1000180
CIF file Formula: - Fe Li3 O8 Sb2 -
Comments: Lacorre, P; Hervieu, M; Raveau, B Existence de la Structure Triramsdellite: Li~3~ Fe Sb~2~ O~8~ Materials Research Bulletin 19 (1984) 693-699
Space group: P m c n
Cell volume: 444.8
Cell parameters: 9.017; 5.013; 9.841; 90; 90; 90;  

COD ID: 1000181
CIF file Formula: - Al F5 H4 Hg2 O2 -
Comments: Fourquet, J L; Plet, F; de Pape, R The Structure of Dimercury(I) Aluminium(III) Fluoride Dihydrate Acta Crystallographica B (24,1968-38,1982) 37 (1981) 2136-2138
Space group: I 4 c m
Cell volume: 633.4
Cell parameters: 9.353; 9.353; 7.241; 90; 90; 90;  

COD ID: 1000182
CIF file Formula: - Al F4 H4 N -
Comments: Bulou, A; Leble, A; Hewat, A W NH~4~AlF~4~: Determination of the Ordered and Disordered Structures by Neutron Powder Profile Refinement Materials Research Bulletin 17 (1982) 391-397
Space group: I 4/m c m
Cell volume: 329.5
Cell parameters: 5.0875; 5.0875; 12.7319; 90; 90; 90;  

COD ID: 1000183
CIF file Formula: - Al F4 H4 N -
Comments: Bulou, A; Leble, A; Hewat, A W NH~4~AlF~4~: Determination of the Ordered and Disordered Structures by Neutron Powder Profile Refinement Materials Research Bulletin 17 (1982) 391-397
Space group: P 42/m b c
Cell volume: 325
Cell parameters: 5.0564; 5.0564; 12.7113; 90; 90; 90;  

COD ID: 1000184
CIF file Formula: - F6 Fe Li Mn -
Comments: Courbion, G; Jacoboni, C; de Pape, R The Dimorphism of Li Mn Fe F~6~: A New Kind of Cationic Order in the Structural Type Na~2~ Si F~6~ Journal of Solid State Chemistry 45 (1982) 127-134
Space group: P 3 2 1
Cell volume: 304.1
Cell parameters: 8.684; 8.684; 4.657; 90; 90; 120;  

COD ID: 7015715
CIF file Formula: - C34 H48 N2 O2 Zn -
Comments: Granum, David M.; Riedel, Paul J.; Crawford, Joshua A.; Mahle, Thomas K.; Wyss, Chelsea M.; Begej, Anastasia K.; Arulsamy, Navamoney; Pierce, Brad S.; Mehn, Mark P. Synthesis and Characterization of Sterically Encumbered β-Ketoiminate Complexes of Iron(ii) and Zinc(ii). Dalton transactions (Cambridge, England : 2003) 40(22) (2011) 5881-5890
Space group: P -1
Cell volume: 1596.57
Cell parameters: 9.9587; 10.9893; 16.4658; 84.78; 76.17; 65.85;  

COD ID: 1000185
CIF file Formula: - F6 Fe Li Mn -
Comments: Courbion, G; Jacoboni, C; de Pape, R The Dimorphism of Li Mn Fe F~6~: A New Kind of Cationic Order in the Structural Type Na~2~ Si F~6~ Journal of Solid State Chemistry 45 (1982) 127-134
Space group: P 3 2 1
Cell volume: 312.7
Cell parameters: 8.723; 8.723; 4.745; 90; 90; 120;  

COD ID: 1000186
CIF file Formula: - F6 Fe Li Mn -
Comments: Courbion, G; Jacoboni, C; de Pape, R The Dimorphism of Li Mn Fe F~6~: A New Kind of Cationic Order in the Structural Type Na~2~ Si F~6~ Journal of Solid State Chemistry 45 (1982) 127-134
Space group: P 3 2 1
Cell volume: 312.7
Cell parameters: 8.723; 8.723; 4.745; 90; 90; 120;  

COD ID: 1000187
CIF file Formula: - F3 Fe H0.66 O0.33 -
Comments: Leblanc, M; Ferey, G; Chevalier, P; Calage, Y; de Pape, R Hexagonal Tungsten Bronze-Type Fe(III) Fluoride: (H~2~O)~0.33~FeF~3~; Crystal Structure, Magnetic Properties, Dehydration to a New Form of Iron Trifluoride Journal of Solid State Chemistry 47 (1983) 53-58
Space group: C m c m
Cell volume: 711.2
Cell parameters: 7.423; 12.73; 7.526; 90; 90; 90;  

COD ID: 1000188
CIF file Formula: - F6 Fe H4 Mn N -
Comments: Leblanc, M; Ferey, G; Calage, Y; de Pape, R Crystal Structure and Magnetic Properties of a New Form of Nh~4~MnFeF~6~ Journal of Solid State Chemistry 47 (1983) 24-29
Space group: P b 2 n
Cell volume: 1064
Cell parameters: 7.844; 12.819; 10.582; 90; 90; 90;  

COD ID: 1000189
CIF file Formula: - H Nb O3 -
Comments: Fourquet, J E; Renou, M F; de, Pape R; Theveneau, H; Man, P P; Lucas, O; Pannetier, J H Nb O~3~, structure and NMR study Solid State Ionics 9 (1983) 1011-1013
Space group: I m -3
Cell volume: 446.8
Cell parameters: 7.645; 7.645; 7.645; 90; 90; 90;  

COD ID: 1000190
CIF file Formula: - H Nb O3 -
Comments: Fourquet, J L; Renou, M F; De, Pape R; Theveneau, H; Man, P P; Lucs, O; Pannetier, J H Nb O~3~, structure and NMR study Solid State Ionics 9 (1983) 1011-1013
Space group: I m -3
Cell volume: 446.8
Cell parameters: 7.645; 7.645; 7.645; 90; 90; 90;  

COD ID: 7015714
CIF file Formula: - C34 H48 Fe N2 O2 -
Comments: Granum, David M.; Riedel, Paul J.; Crawford, Joshua A.; Mahle, Thomas K.; Wyss, Chelsea M.; Begej, Anastasia K.; Arulsamy, Navamoney; Pierce, Brad S.; Mehn, Mark P. Synthesis and Characterization of Sterically Encumbered β-Ketoiminate Complexes of Iron(ii) and Zinc(ii). Dalton transactions (Cambridge, England : 2003) 40(22) (2011) 5881-5890
Space group: C 1 2/c 1
Cell volume: 3208.84
Cell parameters: 23.7223; 12.069; 11.7799; 90; 107.93; 90;  

COD ID: 1000191
CIF file Formula: - Ag0.5 Cr0.5 P S3 -
Comments: Colombet, P; Leblanc, A; Danot, M; Rouxel, J Coordinance inhabituelle de l'argent dans un sufur lamellaire a sous- reseau magnetique 1D: le compose Ag~.5~ Cr~.5~ P S~3~ Nouveau Journal de Chimie 7 (1983) 333-338
Space group: P 1 2/a 1
Cell volume: 406.4
Cell parameters: 5.892; 10.632; 6.745; 90; 105.88; 90;  

COD ID: 1000192
CIF file Formula: - Ag0.5 Cr0.5 P S3 -
Comments: Colombet, P; Leblanc, A; Danot, M; Rouxel, J Coordinance inhabituelle de l'argent dans un sufur lamellaire a sous- reseau magnetique 1D: le compose Ag~.5~ Cr~.5~ P S~3~ Nouveau Journal de Chimie 7 (1983) 333-338
Space group: P 1 2/a 1
Cell volume: 406.4
Cell parameters: 5.892; 10.632; 6.745; 90; 105.88; 90;  

COD ID: 1000193
CIF file Formula: - F8 Fe3 H4 O2 -
Comments: Leblanc, M; Ferey, G; Calage, Y; De Pape, R Idle spin behavior of the shifted hexagonal tungsten bronze type compounds Fe Fe~2~ F~8~ (H~2~ O)~2~ and Mn Fe~2~ F~8~ (H~2~ O)~2~ Journal of Solid State Chemistry 53 (1984) 360-368
Space group: C 1 2/m 1
Cell volume: 375.5
Cell parameters: 7.609; 7.514; 7.453; 90; 118.21; 90;  

COD ID: 1000194
CIF file Formula: - Ca3 Mn3 O8.02 -
Comments: Nguyen, N; Calage, Y; Varret, F; Ferey, G; Caignaert, V; Hervieu, M; Raveau, B The oxygen defect Perovskite Ca~3~ Mn~1.35~ Fe~1.65~ O~8.02~: a highly frustrated antiferromagnet Journal of Solid State Chemistry 53 (1984) 398-405
Space group: P m 2 a
Cell volume: 323.7
Cell parameters: 5.332; 11.13; 5.455; 90; 90; 90;  

COD ID: 1000195
CIF file Formula: - B2 F8 Sr -
Comments: de Pape, R; Ravez, J Les fluoborates anhydres des metaux alcalinoterreux. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 254 (1962) 4171-4173
Space group:
Cell volume: 1216.4
Cell parameters: 9.55; 9.23; 13.8; 90; 90; 90;  

COD ID: 7015713
CIF file Formula: - C59 H81 F6 Fe N3 O9 S2 -
Comments: Granum, David M.; Riedel, Paul J.; Crawford, Joshua A.; Mahle, Thomas K.; Wyss, Chelsea M.; Begej, Anastasia K.; Arulsamy, Navamoney; Pierce, Brad S.; Mehn, Mark P. Synthesis and Characterization of Sterically Encumbered β-Ketoiminate Complexes of Iron(ii) and Zinc(ii). Dalton transactions (Cambridge, England : 2003) 40(22) (2011) 5881-5890
Space group: P -1
Cell volume: 3147.6
Cell parameters: 10.9902; 15.5889; 18.9999; 76.706; 86.343; 83.931;  

COD ID: 1000196
CIF file Formula: - Fe4 Li4.66 O16 Sb2 Sn1.32 -
Comments: Lacorre, P; Hervieu, M; Choisnet, J; Raveau, B Oxydes M~3~ O~4~ a empilement hexagonal double type D.H. Li Fe Sn O~4~ (M = Li,Fe,Sb,Sn): Transitions reversibles ramsdellite - D.H. Li Fe Sn O~4~ Journal of Solid State Chemistry 51 (1984) 44-52
Space group: P 63 m c
Cell volume: 297.4
Cell parameters: 5.95; 5.95; 9.701; 90; 90; 120;  

COD ID: 1000197
CIF file Formula: - Fe2 Li2.33 O8 Sb Sn0.66 -
Comments: Lacorre, P; Hervieu, M; Choisnet, J; Raveau, B Oxydes M~3~ O~4~ a empilement hexagonal double type D.H. Li Fe Sn O~4~ (M = Li,Fe,Sb,Sn): Transitions reversibles ramsdellite - D.H. Li Fe Sn O~4~ Journal of Solid State Chemistry 51 (1984) 44-52
Space group: P m c n
Cell volume: 149.8
Cell parameters: 3.031; 5.045; 9.798; 90; 90; 90;  

COD ID: 1000198
CIF file Formula: - Al F4 Tl -
Comments: Fourquet, J L; Plet, F; Courbion, G; Bulou, A; de Pape, R Etude de la filiation structurale des phases M(I) Al F~4~ (M(I) = K, Rb, Tl, N H~4~, Cs) Revue de Chimie Minerale 16 (1979) 490-500
Space group: P 4/m m m
Cell volume: 83.2
Cell parameters: 3.616; 3.616; 6.366; 90; 90; 90;  

COD ID: 1000199
CIF file Formula: - Al F4 H4 N -
Comments: Fourquet, J L; Plet, F; Courbion, G; Bulou, A; de Pape, R Etude de la filiation structurale des phases M(I) Al F~4~ (M(I) = K, Rb, Tl, N H~4~, Cs) Revue de Chimie Minerale 16 (1979) 490-500
Space group: I -4 c 2
Cell volume: 327.9
Cell parameters: 5.078; 5.078; 12.715; 90; 90; 90;  

COD ID: 1000200
CIF file Formula: - Al F5 H2 O Rb2 -
Comments: Fourquet, J L; Plet, F; de Pape, R La structure cristalline de Rb~2~ Al F~5~, H~2~ O. Retour critique sur le type structural Tl~2~ Al F~5~ Revue de Chimie Minerale 18 (1981) 19-26
Space group: C m c m
Cell volume: 606.9
Cell parameters: 9.604; 8.379; 7.542; 90; 90; 90;  

COD ID: 1000201
CIF file Formula: - Ba2 Co F9 Fe -
Comments: de Kozak, A; Leblanc, M; Samouel, M; Ferey, G; de Pape, R Structure Crystalline de Ba~2~ Co Fe F~9~ Revue de Chimie Minerale 18 (1981) 659-666
Space group: P 1 21/n 1
Cell volume: 755.9
Cell parameters: 7.486; 17.757; 5.687; 90; 90.87; 90;  

COD ID: 7015712
CIF file Formula: - C16 H28 N2 O2 Zn -
Comments: Granum, David M.; Riedel, Paul J.; Crawford, Joshua A.; Mahle, Thomas K.; Wyss, Chelsea M.; Begej, Anastasia K.; Arulsamy, Navamoney; Pierce, Brad S.; Mehn, Mark P. Synthesis and Characterization of Sterically Encumbered β-Ketoiminate Complexes of Iron(ii) and Zinc(ii). Dalton transactions (Cambridge, England : 2003) 40(22) (2011) 5881-5890
Space group: I b a 2
Cell volume: 3445.26
Cell parameters: 10.626; 15.6935; 20.6601; 90; 90; 90;  

COD ID: 1000202
CIF file Formula: - F5 Fe H4 Hg O2 -
Comments: Fourquet, J L; Courant, E; Chevalier, P; de Pape, R Structure of Mercury(II) Iron(III) Fluoride Dihydrate, Hg Fe F~5~ (H~2~ O)~2~ Acta Crystallographica C (39,1983-) 41 (1985) 165-167
Space group: P b a m
Cell volume: 285
Cell parameters: 10.711; 6.638; 4.008; 90; 90; 90;  

COD ID: 1000203
CIF file Formula: - Ba Cr2 F9 Na -
Comments: Ferey, G; Leblanc, M; Kozak, A de; Samouel, M; Pannetier, J Crystal Structure of Na Ba Cr~2~ F~9~ - structural correlations with other Enneafluorides. Journal of Fluorine Chemistry 23 (1983) 442-442
Space group: P 1 21/n 1
Cell volume: 689.5
Cell parameters: 7.38; 17.311; 5.398; 90; 91.14; 90;  

COD ID: 1000204
CIF file Formula: - Ba Cr2 F9 Na -
Comments: Ferey, G; Leblanc, M; Kozak, A; Samouel, M; Pannetier, J Crystal structures of Na Ba Cr~2~ F~9~ and Na Ba Fe~2~ F~9~ Structural correlations with other enneafluorides, particularly with K Pb Cr~2~ F~9~ Journal of Solid State Chemistry 56 (1985) 288-297
Space group: P 1 21/n 1
Cell volume: 683.7
Cell parameters: 7.318; 17.311; 5.398; 90; 91.14; 90;  

COD ID: 1000205
CIF file Formula: - Ba F9 Fe2 Na -
Comments: Ferey, G; Leblanc, M; Kozak, A; Samouel, M; Pannetier, J Crystal structures of Na Ba Cr~2~ F~9~ and Na Ba Fe~2~ F~9~ Structural correlations with other enneafluorides, particularly with K Pb Cr~2~ F~9~ Journal of Solid State Chemistry 56 (1985) 288-297
Space group: P 1 21/n 1
Cell volume: 707.5
Cell parameters: 7.363; 17.527; 5.484; 90; 91.5; 90;  

COD ID: 1000206
CIF file Formula: - F4 Fe H4 N -
Comments: Leblanc, M; Ferey, G; Pape, R Room-Temperature Structure of Ammonium Tetrafluorate(III), N H~4~ (Fe F~4~) Acta Crystallographica C (39,1983-) 41 (1985) 657-660
Space group: P n m a
Cell volume: 730.3
Cell parameters: 7.559; 7.575; 12.754; 90; 90; 90;  

COD ID: 7015711
CIF file Formula: - C16 H28 Fe N2 O2 -
Comments: Granum, David M.; Riedel, Paul J.; Crawford, Joshua A.; Mahle, Thomas K.; Wyss, Chelsea M.; Begej, Anastasia K.; Arulsamy, Navamoney; Pierce, Brad S.; Mehn, Mark P. Synthesis and Characterization of Sterically Encumbered β-Ketoiminate Complexes of Iron(ii) and Zinc(ii). Dalton transactions (Cambridge, England : 2003) 40(22) (2011) 5881-5890
Space group: I b a 2
Cell volume: 3441.18
Cell parameters: 10.6628; 15.7409; 20.5025; 90; 90; 90;  

COD ID: 1000207
CIF file Formula: - Al F4 K -
Comments: Launay, J M; Bulou, A; Hewat, A W; Gibaud, A; Laval, J Y; Nouet, J Shear transformation in the layered compound K Al F~4~: low temperature phase structure and transformation mechanism Journal de Physique (Paris) 46 (1985) 771-782
Space group: P 4/m b m
Cell volume: 156.8
Cell parameters: 5.0449; 5.0449; 6.1592; 90; 90; 90;  

COD ID: 1000208
CIF file Formula: - Al F4 K -
Comments: Launay, J M; Bulou, A; Hewat, A W; Gibaud, A; Laval, J Y; Nouet, J Shear transformation in the layered compound K Al F~4~: low temperature phase structure and transformation mechanism Journal de Physique (Paris) 46 (1985) 771-782
Space group: P 1 21/m 1
Cell volume: 325.8
Cell parameters: 7.3403; 7.237; 6.407; 90; 106.801; 90;  

COD ID: 1000209
CIF file Formula: - F12 Li3 Na3 Ti2 -
Comments: de Pape, R; Portier, J; Gauthier, G; Hagenmuller, P Les grenats fluores des elements de transition Na~3~ Li~3~ M~2~ F~12~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 265 (1967) 1244-1246
Space group: I a -3 d
Cell volume: 1952.2
Cell parameters: 12.498; 12.498; 12.498; 90; 90; 90;  

COD ID: 1000210
CIF file Formula: - F12 Li3 Na3 V2 -
Comments: de Pape, R; Portier, J; Gauthier, G; Hagenmuller, P Les grenats fluores des elements de transition Na~3~ Li~3~ M~2~ F~12~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 265 (1967) 1244-1246
Space group: I a -3 d
Cell volume: 1910.8
Cell parameters: 12.409; 12.409; 12.409; 90; 90; 90;  

COD ID: 7015710
CIF file Formula: - C31 H31 Cl4 N4 O4 P Ru S -
Comments: Türkoglu, Gazi; Heinemann, Frank W.; Burzlaff, Nicolai Transition metal complexes bearing a 2,2-bis(3,5-dimethylpyrazol-1-yl)propionate ligand: one methyl more matters. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4678-4686
Space group: P -1
Cell volume: 1715.9
Cell parameters: 10.2222; 11.7705; 15.5181; 81.278; 71.154; 77.078;  

COD ID: 1000211
CIF file Formula: - Cr2 F12 Li3 Na3 -
Comments: de Pape, R; Portier, J; Gauthier, G; Hagenmuller, P Les grenats fluores des elements de transition Na~3~ Li~3~ M~2~ F~12~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 265 (1967) 1244-1246
Space group: I a -3 d
Cell volume: 1873.6
Cell parameters: 12.328; 12.328; 12.328; 90; 90; 90;  

COD ID: 1000212
CIF file Formula: - F12 Fe2 Li3 Na3 -
Comments: de Pape, R; Portier, J; Gauthier, G; Hagenmuller, P Les grenats fluores des elements de transition Na~3~ Li~3~ M~2~ F~12~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 265 (1967) 1244-1246
Space group: I a -3 d
Cell volume: 1903.4
Cell parameters: 12.393; 12.393; 12.393; 90; 90; 90;  

COD ID: 1000213
CIF file Formula: - Co2 F12 Li3 Na3 -
Comments: de Pape, R; Portier, J; Gauthier, G; Hagenmuller, P Les grenats fluores des elements de transition Na~3~ Li~3~ M~2~ F~12~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 265 (1967) 1244-1246
Space group: I a -3 d
Cell volume: 1872.7
Cell parameters: 12.326; 12.326; 12.326; 90; 90; 90;  

COD ID: 7015709
CIF file Formula: - C33 H34 Cl3 N4 O3 P Ru -
Comments: Türkoglu, Gazi; Heinemann, Frank W.; Burzlaff, Nicolai Transition metal complexes bearing a 2,2-bis(3,5-dimethylpyrazol-1-yl)propionate ligand: one methyl more matters. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4678-4686
Space group: P -1
Cell volume: 1668.91
Cell parameters: 10.0431; 11.6105; 15.3823; 82.767; 73.575; 76.413;  

COD ID: 1000214
CIF file Formula: - Ba6 Cu11 F34 -
Comments: Renaudin, J; Pannetier, J; de Kozak, A; Samouel, M; Ferey, G Complex copper(II) fluorides IV. Crystal structure of Ba~6~ Cu~11~ F~34~: First evidence of trinuclear edge-sharing units and defective NaCl-type blocks in crystal chemistry of fluorides Journal of Solid State Chemistry 62 (1986) 164-171
Space group: P -1
Cell volume: 698.1
Cell parameters: 7.49; 10.031; 10.271; 82.98; 73.88; 70.42;  

COD ID: 1000215
CIF file Formula: - Ba Cu F7 Fe -
Comments: Renaudin, J; Calage, Y; Samouel, M; Kozak, A de; Leblanc, M; Ferey, G Complex copper II fluorides. II.- Crystal structure, magnetic properties and Moessbauer study of the partly disordered ferrimagnet BaCuFeF~7~ Revue de Chimie Minerale 22 (1985) 74-87
Space group: C 1 2/c 1
Cell volume: 527.7
Cell parameters: 10.695; 9.932; 5.654; 90; 118.53; 90;  

COD ID: 1000216
CIF file Formula: - Ba Cu F7 Fe -
Comments: Renaudin, J; Calage, Y; Samouel, M; Kozak, A de; Leblanc, M; Ferey, G Complex copper II fluorides. II.- Crystal structure, magnetic properties and Moessbauer study of the partly disordered ferrimagnet BaCuFeF~7~ Revue de Chimie Minerale 22 (1985) 74-87
Space group: C 1 c 1
Cell volume: 527.7
Cell parameters: 10.695; 9.932; 5.654; 90; 118.53; 90;  

COD ID: 7015708
CIF file Formula: - C32 H34 Cl3 N6 O2 P Ru -
Comments: Türkoglu, Gazi; Heinemann, Frank W.; Burzlaff, Nicolai Transition metal complexes bearing a 2,2-bis(3,5-dimethylpyrazol-1-yl)propionate ligand: one methyl more matters. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4678-4686
Space group: P -1
Cell volume: 1645.9
Cell parameters: 9.8965; 11.6847; 15.307; 82.558; 73.358; 76.584;  

COD ID: 1000217
CIF file Formula: - Ba6 F26 Zn7 -
Comments: Renaudin, J; Samouel, M; Leblanc, M; Kozak, A de; Ferey, G Crystal structure of Ba~6~Zn~7~F~26~ Journal of Solid State Chemistry 59 (1985) 103-110
Space group: C 1 2/m 1
Cell volume: 1104.6
Cell parameters: 19.46; 5.956; 12.243; 90; 128.88; 90;  

COD ID: 1000218
CIF file Formula: - F5 Fe H4 Hg2 O3 -
Comments: Courant, E; Fourquet, J L; De Pape, R The crystal structure of Hg~2~ Fe F~5~ (O H)~2~ (H~2~O) Journal of Solid State Chemistry 60 (1985) 343-346
Space group: C m m m
Cell volume: 349.7
Cell parameters: 7.505; 11.823; 3.941; 90; 90; 90;  

COD ID: 1000219
CIF file Formula: - Ba F9 Fe2 Na -
Comments: De Kozak, A; Samouel, M; Leblanc, M; Ferey, G; Pannetier, J Magnetic structure of the canted 1D-antiferromagnet Na Ba Fe~2~ F~9~ Solid State Communications 55 (1985) 887-890
Space group: P 1 21/n 1
Cell volume: 697.3
Cell parameters: 7.3236; 17.4525; 5.4586; 90; 91.84; 90;  

COD ID: 1000220
CIF file Formula: - Ba7 Cu F34 Fe6 -
Comments: Renaudin, J; Ferey, G; Kozak, A de; Samouel, M Fluorures complexes de cuivre(II). VI. Structure cristalline de Ba~7~ Cu Fe~6~ F~34~ Revue de Chimie Minerale 24 (1987) 295-304
Space group: C 1 2/m 1
Cell volume: 1450.3
Cell parameters: 16.982; 11.372; 7.663; 90; 101.47; 90;  

COD ID: 1000221
CIF file Formula: - Al F4 Tl -
Comments: Bulou, A; Nouet, J Structural phase transitions in ferroelastic Tl Al F~4~: DSC investigations and structures determinations by neutron powder profile refinement Journal of Physics C 20 (1987) 2885-2900
Space group: P 4/m m m
Cell volume: 86.2
Cell parameters: 3.6587; 3.6587; 6.4378; 90; 90; 90;  

COD ID: 1000222
CIF file Formula: - Al F4 Tl -
Comments: Bulou, A; Nouet, J Structural phase transitions in ferroelastic Tl Al F~4~: DSC investigations and structures determinations by neutron powder profile refinement Journal of Physics C 20 (1987) 2885-2900
Space group: P 4/m m m
Cell volume: 85.4
Cell parameters: 3.6492; 3.6492; 6.4137; 90; 90; 90;  

COD ID: 7015707
CIF file Formula: - C26 H34 Cu N8 O4 -
Comments: Türkoglu, Gazi; Heinemann, Frank W.; Burzlaff, Nicolai Transition metal complexes bearing a 2,2-bis(3,5-dimethylpyrazol-1-yl)propionate ligand: one methyl more matters. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4678-4686
Space group: P 1 21/c 1
Cell volume: 1360.2
Cell parameters: 8.8389; 9.665; 15.97; 90; 94.446; 90;  

COD ID: 1000223
CIF file Formula: - F5 Fe H4 Hg2 O3 -
Comments: Courant, E; Fourquet, J L; de Pape, R The Crystal Structure of Hg~2~FeF~5~(OH)~2~ H~2~O Journal of Solid State Chemistry 60 (1985) 343-346
Space group: C m m m
Cell volume: 349.7
Cell parameters: 7.505; 11.823; 3.941; 90; 90; 90;  

COD ID: 1000224
CIF file Formula: - D4 F6 Fe Mn N -
Comments: Leblanc, M; Ferey, G; de Pape, R; Pannetier, J Nuclear and magnetic structures of N D~4~ Mn Fe F~6~ at 4.2 K. Solid State Communications 58 (1986) 165-169
Space group: P n c 2
Cell volume: 1052
Cell parameters: 10.5276; 7.797; 12.8156; 90; 90; 90;  

COD ID: 1000225
CIF file Formula: - D4 F6 Fe Mn N -
Comments: Leblanc, M; Ferey, G; de Pape, R; Pannetier, J Nuclear and magnetic structures of N D~4~ Mn Fe F~6~ at 4.2 K. Solid State Communications 165 (1986) 169-369
Space group: P b c n
Cell volume: 1051.1
Cell parameters: 7.7947; 12.8133; 10.5244; 90; 90; 90;  

COD ID: 1000226
CIF file Formula: - Ba6 F26 Zn7 -
Comments: Renaudin, J; Samouel, M; Leblanc, M; Kozak, A de; Ferey, G Crystal structure of Ba~6~ Zn~7~ F~26~ Journal of Solid State Chemistry 59 (1985) 103-110
Space group: C 1 2/m 1
Cell volume: 1104.6
Cell parameters: 19.46; 5.956; 12.243; 90; 128.88; 90;  

COD ID: 1000227
CIF file Formula: - F5 Fe H4 Mn O2 -
Comments: Laligant, Y; Pannetier, J; Leblanc, M; Labbe, P; Heger, G; Ferey, G Crystal structure refinement of the inverse weberite Mn Fe F~5~ (H~2~ O)~2~ Zeitschrift fuer Kristallographie (149,1979-) 181 (1987) 1-10
Space group: I m m a
Cell volume: 555
Cell parameters: 7.5635; 10.901; 6.7319; 90; 90; 90;  

COD ID: 7015706
CIF file Formula: - C16 H17 Mn N4 O5 -
Comments: Türkoglu, Gazi; Heinemann, Frank W.; Burzlaff, Nicolai Transition metal complexes bearing a 2,2-bis(3,5-dimethylpyrazol-1-yl)propionate ligand: one methyl more matters. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4678-4686
Space group: P -1
Cell volume: 821.94
Cell parameters: 8.2964; 9.653; 11.393; 105.882; 99.171; 104.865;  

COD ID: 1000228
CIF file Formula: - F3 Fe -
Comments: De Pape, R; Ferey, G A new form of Fe F~3~ with the pyrochlore structure: Soft chemistry, crystal structure, thermal transitions and structural correlations with the other forms of Fe F~3~ Materials Research Bulletin 21 (1986) 971-978
Space group: F d -3 m :2
Cell volume: 1100.7
Cell parameters: 10.325; 10.325; 10.325; 90; 90; 90;  

COD ID: 1000229
CIF file Formula: - Ag0.5 In0.5 P S3 -
Comments: Ouili, Z; Leblanc, A; Colombet, P Crystal structure of a new Lamellar compound Ag~.5~ In~.5~ P S~3~ Journal of Solid State Chemistry 66 (1987) 86-94
Space group: P -3 1 c
Cell volume: 428.8
Cell parameters: 6.182; 6.182; 12.957; 90; 90; 120;  

COD ID: 1000230
CIF file Formula: - F5 Fe H4 Mn O2 -
Comments: Laligant, Y; Pannetier, J; Ferey, G Ordered magnetic frustration. VI. Crystal and magnetic structures of the inverse Weberites Zn Fe F~5~ (H~2~ O)~2~ and Mn Fe F~5~ (H~2~ O)~2~ at 1.5K from powder neutron diffraction Journal of Solid State Chemistry 66 (1987) 242-250
Space group: I m m 2
Cell volume: 530.7
Cell parameters: 7.475; 10.766; 6.594; 90; 90; 90;  

COD ID: 1000231
CIF file Formula: - F5 Fe H4 O2 Zn -
Comments: Laligant, Y; Pannetier, J; Ferey, G Ordered magnetic frustration. VI. Crystal and magnetic structures of the inverse Weberites Zn Fe F~5~ (H~2~ O)~2~ and Mn Fe F~5~ (H~2~ O)~2~ at 1.5K from powder neutron diffraction Journal of Solid State Chemistry 66 (1987) 242-250
Space group: I m m 2
Cell volume: 522.4
Cell parameters: 7.451; 10.747; 6.524; 90; 90; 90;  

COD ID: 7015705
CIF file Formula: - C51 H44 Cl4 N8 O S2 Zn2 -
Comments: Zhang, Yong; Chen, Li-Yuan; Yin, Wen-Xing; Yin, Jun; Zhang, Shi-Bing; Liu, Chang-Lin The chelation targeting metal-Aβ40 aggregates may lead to formation of Aβ40 oligomers. Dalton transactions (Cambridge, England : 2003) 40(18) (2011) 4830-4833
Space group: C 1 2/c 1
Cell volume: 5330.2
Cell parameters: 33.495; 8.968; 17.7961; 90; 94.351; 90;  

COD ID: 1000232
CIF file Formula: - Cu3 F7 Na -
Comments: Renaudin, J; Leblanc, M; Ferey, G; De, Kozak A; Samouel, M Complex Copper(II) Fluorides IX. Weberite-Related Na Cu~3~ F~7~: The First Fluoride with Copper Both in Square Planar and Octahedral Coordination Journal of Solid State Chemistry 73 (1988) 603-609
Space group: C 1 2/c 1
Cell volume: 530.7
Cell parameters: 12.124; 7.344; 6.924; 90; 120.59; 90;  

COD ID: 1000233
CIF file Formula: - Ba Cu Fe O5 Y -
Comments: Er Rakho, L; Michel, C; Lacorre, Ph; Raveau, B Y Ba Cu Fe O~5+d~: A Novel Oxygen-Deficient Perovskite with a Layer Structure Journal of Solid State Chemistry 73 (1988) 531-535
Space group: P 4 m m
Cell volume: 114.5
Cell parameters: 3.867; 3.867; 7.656; 90; 90; 90;  

COD ID: 1000234
CIF file Formula: - Ba2 Cu2.5 O7 Pd0.5 Y -
Comments: Ferey, G; Le, Bail A; Laligant, Y; Hervieu, M; Raveau, B; Sulpice, A; Tournier, R Ordered Pd^2+^ - Cu^2+^ Substitution on 1.2.3 Superconductor: The Oxide Y Ba~2~ Cu~(3-x)~ Pd~x~ O~y~ (x=0.5) with Pd~2+~ in Square Planar Coordination Journal of Solid State Chemistry 73 (1988) 610-614
Space group: P m m m
Cell volume: 174.1
Cell parameters: 3.841; 3.883; 11.671; 90; 90; 90;  

COD ID: 7015704
CIF file Formula: - C25 H19 N4 S -
Comments: Zhang, Yong; Chen, Li-Yuan; Yin, Wen-Xing; Yin, Jun; Zhang, Shi-Bing; Liu, Chang-Lin The chelation targeting metal-Aβ40 aggregates may lead to formation of Aβ40 oligomers. Dalton transactions (Cambridge, England : 2003) 40(18) (2011) 4830-4833
Space group: P 1 21 1
Cell volume: 1034.26
Cell parameters: 10.0651; 6.0997; 16.8565; 90; 91.991; 90;  

COD ID: 1000235
CIF file Formula: - F5 Fe H10 N2 O -
Comments: Fourquet, J L; Plet, F; Calage, Y Crystal Structure and Magnetic Characterization of (N H~4~)~2~ Fe F~5~ (H~2~ O) Journal of Solid State Chemistry 74 (1988) 34-38
Space group: P b c n
Cell volume: 678.7
Cell parameters: 10.491; 8.09; 7.997; 90; 90; 90;  

COD ID: 1000236
CIF file Formula: - Al2 Ca3 F14 Na2 -
Comments: Courbion, G; Ferey, G Na~2~ Ca~3~ Al~2~ F~14~: A New Example of a Structure with "Independent F^-^" - A New Method of Comparison between Fluorides and Oxides of Different Formula Journal of Solid State Chemistry 76 (1988) 426-431
Space group: I 21 3
Cell volume: 1079.1
Cell parameters: 10.257; 10.257; 10.257; 90; 90; 90;  

COD ID: 1000237
CIF file Formula: - Cr F7 Na2 Ni -
Comments: Laligant, Y; Ferey, G; Heger, G; Pannetier, J Refinement of the crystal and frustrated magnetic structures of the direct weberite Na~2~ Ni Cr F~7~ by neutron powder diffraction Zeitschrift fuer Anorganische und Allgemeine Chemie 553 (1987) 163-171
Space group: I m m a
Cell volume: 544.5
Cell parameters: 7.183; 10.224; 7.414; 90; 90; 90;  

COD ID: 1000238
CIF file Formula: - Al F3 -
Comments: LeBail, A; Jacoboni, C; LeBlanc, M; de Pape, R; Duroy, H; Fourquet, J L Crystal structure of the metastable form of aluminium trifluoride $- beta-Al F~3~ and the gallium and indium homologs Journal of Solid State Chemistry 77 (1988) 96-101
Space group: C m c m
Cell volume: 593.4
Cell parameters: 6.931; 12.002; 7.134; 90; 90; 90;  

COD ID: 7015703
CIF file Formula: - C152 H139 Cl12 Cu6 N25 O8 S6 -
Comments: Zhang, Yong; Chen, Li-Yuan; Yin, Wen-Xing; Yin, Jun; Zhang, Shi-Bing; Liu, Chang-Lin The chelation targeting metal-Aβ40 aggregates may lead to formation of Aβ40 oligomers. Dalton transactions (Cambridge, England : 2003) 40(18) (2011) 4830-4833
Space group: P -1
Cell volume: 3809.1
Cell parameters: 8.538; 19.9727; 22.537; 92.188; 91.35; 97.128;  

COD ID: 1000239
CIF file Formula: - F6 Fe2 Li -
Comments: Fourquet, J L; LeSamedi, E; Calage, Y Le trirutile ordonne Li Fe~2~ F~6~: Croissance cristalline et etude structurale Journal of Solid State Chemistry 77 (1988) 84-89
Space group: P 42 n m
Cell volume: 204.1
Cell parameters: 4.679; 4.679; 9.324; 90; 90; 90;  

COD ID: 1000240
CIF file Formula: - H4 O7 Sb2 -
Comments: Riviere, M; Fourquet, J L; Grins, J; Nygren, M The cubic Pyrochlores H~2x~ Sb~2x~ W~2-2x~ O~6~ n(H~2~ O); structural, thermal and electrical properties Materials Research Bulletin 23 (1988) 965-975
Space group: F d -3 m :2
Cell volume: 1113.5
Cell parameters: 10.365; 10.365; 10.365; 90; 90; 90;  

COD ID: 1000241
CIF file Formula: - H3 O7 Sb W -
Comments: Riviere, M; Fourquet, J L; Grins, J; Nygren, M The cubic Pyrochlores H~2x~ Sb~2x~ W~2-2x~ O~6~ n(H~2~ O); structural, thermal and electrical properties Materials Research Bulletin 23 (1988) 965-975
Space group: F d -3 m :2
Cell volume: 1086.7
Cell parameters: 10.281; 10.281; 10.281; 90; 90; 90;  

COD ID: 1000242
CIF file Formula: - Ba O5 Pd Y2 -
Comments: Laligant, Y; Ferey, G; Hervieu, M; Raveau, B Crystal structure of palladate Y~2~ Ba Pd O~5~ with square planar coordinated Pd^2+^ European Journal of Solid State Inorganic Chemistry 25 (1988) 111-117
Space group: P 4/m b m
Cell volume: 248.1
Cell parameters: 6.523; 6.523; 5.831; 90; 90; 90;  

COD ID: 1000243
CIF file Formula: - F6 Fe Nb -
Comments: Delobbe, V; Chassaing, J; Bizot, D; Quarton, M; Lacorre, P; Calage, Y; Leblanc, M; Ferey, G Fluorocomplexes of Niobium IV; VI: Moessbauer study and magnetic structure of Fe Nb F~6~ Journal of Magnetism and Magnetic Materials 74 (1988) 165-176
Space group: R -3 :H
Cell volume: 358
Cell parameters: 5.4201; 5.4201; 14.072; 90; 90; 120;  

COD ID: 1000244
CIF file Formula: - F6 Fe Nb -
Comments: Delobbe, V; Chassaing, J; Bizot, D; Quarton, M; Lacorre, P; Calage, Y; Leblanc, M; Ferey, G Fluorocomplexes of Niobium IV; VI: Moessbauer study and magnetic structure of Fe Nb F~6~ Journal of Magnetism and Magnetic Materials 74 (1988) 165-176
Space group: R -3 :H
Cell volume: 356.5
Cell parameters: 5.3942; 5.3942; 14.1457; 90; 90; 120;  

COD ID: 7015702
CIF file Formula: - C26 H37 Cu2 N17 O16 -
Comments: Reid, Derek J.; Cull, John E. W.; Chisholm, Kimberley D. S.; Langlois, Alexandre; Lin, Po-Heng; Long, Jérôme; Lebel, Olivier; Korobkov, Ilia; Wang, Ruiyao; Wuest, James D.; Murugesu, Muralee; Scott, Jennifer Synthesis, structure and magnetism of homodinuclear complexes of Co, Ni and Cu supported by a novel bitriazine scaffold. Dalton transactions (Cambridge, England : 2003) 40(18) (2011) 5009-5017
Space group: C 1 2/c 1
Cell volume: 4333.53
Cell parameters: 25.264; 10.8761; 19.8923; 90; 127.549; 90;  

COD ID: 1000245
CIF file Formula: - F6 Fe Nb -
Comments: Delobbe, V; Chassaing, J; Bizot, D; Quarton, M; Lacorre, P; Calage, Y; Leblanc, M; Ferey, G Fluorocomplexes of Niobium IV; VI: Moessbauer study and magnetic structure of Fe Nb F~6~ Journal of Magnetism and Magnetic Materials 74 (1988) 165-176
Space group: P -1
Cell volume: 464.6
Cell parameters: 7.793; 7.7398; 7.7435; 86.585; 87.046; 86.138;  

COD ID: 1000246
CIF file Formula: - F6 Fe Nb -
Comments: Delobbe, V; Chassaing, J; Bizot, D; Quarton, M; Lacorre, P; Calage, Y; Leblanc, M; Ferey, G Fluorocomplexes of Niobium IV; VI: Moessbauer study and magnetic structure of Fe Nb F~6~ Journal of Magnetism and Magnetic Materials 74 (1988) 165-176
Space group: P -1
Cell volume: 461.8
Cell parameters: 7.7994; 7.7143; 7.7206; 86.483; 86.968; 85.687;  

COD ID: 1000247
CIF file Formula: - F5 Fe H4 O2 Zn -
Comments: Laligant, Y; Calage, Y; Torres Tapia, E; Greneche, J M; Varret, F; Ferey, G Crystal structure of the inverse weberite Zn Fe F~5~ (H~2~ O)~2~, magnetic and Moessbauer study of the antiferromagnet Zn Fe F~5~ (H~2~ O)~2~ and ferrimagnet Mn Fe F~5~ Journal of Magnetism and Magnetic Materials 61 (1986) 283-290
Space group: I m m a
Cell volume: 530.7
Cell parameters: 7.475; 10.766; 6.594; 90; 90; 90;  

COD ID: 1000248
CIF file Formula: - Ba2 F18 Ni7 -
Comments: Renaudin, J; Ferey, G; Kozak, A; Samouel, M; Lacorre, P Crystal and magnetic structures of the ferrimagnet Ba~2~ Ni~7~ F~18~ Solid State Communications 65 (1988) 185-188
Space group: P -1
Cell volume: 333.8
Cell parameters: 6.937; 7.229; 7.456; 94.37; 93.16; 115.86;  

COD ID: 1000249
CIF file Formula: - Ba2 F18 Ni7 -
Comments: Renaudin, J; Ferey, G; Kozak, A; Samouel, M; Lacorre, P Crystal and magnetic structures of the ferrimagnet Ba~2~ Ni~7~ F~18~ Solid State Communications 65 (1988) 185-188
Space group: P -1
Cell volume: 331.9
Cell parameters: 6.924; 7.218; 7.437; 94.39; 93.2; 115.82;  

COD ID: 1000250
CIF file Formula: - La1.9 Ni O3.93 -
Comments: Choisnet, J; Bassat, J M; Pilliere, H; Odier, P; Leblanc, M A re-investigation of the crystal structure of La~2~ Ni O~4~ Non stoichiometry and "La O" layers Solid State Communications 66 (1988) 1245-1249
Space group: I 4/m m m
Cell volume: 189.6
Cell parameters: 3.869; 3.869; 12.664; 90; 90; 90;  

COD ID: 7015701
CIF file Formula: - C26 H38 Cl4 Cu2 N12 O4 -
Comments: Reid, Derek J.; Cull, John E. W.; Chisholm, Kimberley D. S.; Langlois, Alexandre; Lin, Po-Heng; Long, Jérôme; Lebel, Olivier; Korobkov, Ilia; Wang, Ruiyao; Wuest, James D.; Murugesu, Muralee; Scott, Jennifer Synthesis, structure and magnetism of homodinuclear complexes of Co, Ni and Cu supported by a novel bitriazine scaffold. Dalton transactions (Cambridge, England : 2003) 40(18) (2011) 5009-5017
Space group: P -1
Cell volume: 904.6
Cell parameters: 10.3414; 10.443; 10.5451; 66.828; 89.848; 62.364;  

COD ID: 1000251
CIF file Formula: - Cu Li O4 V -
Comments: Lafontaine, M A; Leblanc, M; Ferey, G New refinement of the room-temperature structure of Li Cu V O~4~ Acta Crystallographica C (39,1983-) 45 (1989) 1205-1206
Space group: I m m a
Cell volume: 288.1
Cell parameters: 5.662; 5.809; 8.758; 90; 90; 90;  

COD ID: 1000252
CIF file Formula: - Cu F8 Fe2 H4 O2 -
Comments: Leblanc, M; Ferey, G Room-temperature structure of diaquaoctafluorocopper(II) diiron(III) Acta Crystallographica C (39,1983-) 46 (1990) 13-15
Space group: C 1 2/c 1
Cell volume: 736.8
Cell parameters: 7.541; 7.501; 13.027; 90; 90.52; 90;  


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