Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9009910 | CIF | Cu O3 Te | P m c n | 7.604; 5.837; 12.705 90; 90; 90 | 563.906 | Lindqvist, O. The crystal structure of CuTeO3 Acta Chemica Scandinavica, 1972, 26, 1423-1430 |
| 9009911 | CIF | Rh Sb | P n m a | 5.9718; 3.8621; 6.3242 90; 90; 90 | 145.859 | Endresen, K.; Furuseth, S.; Selte, K.; Kjekshus, A.; Rakke, T.; Andresen, A. F. On the MnP type structure of RuSb and RhSb Acta Chemica Scandinavica A, 1977, 31, 249-252 |
| 9009912 | CIF | Ru Sb | P n m a | 5.9608; 3.7023; 6.5797 90; 90; 90 | 145.205 | Endresen, K.; Furuseth, S.; Selte, K.; Kjekshus, A.; Rakke, T.; Andresen, A. F. On the MnP type structure of RuSb and RhSb Acta Chemica Scandinavica A, 1977, 31, 249-252 |
| 9009913 | CIF | P2 Ru | P n n m | 5.1169; 5.8915; 2.8709 90; 90; 90 | 86.547 | Kjekshus, A.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XII. Structural data for RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2 Acta Chemica Scandinavica A, 1977, 31, 253-259 |
| 9009914 | CIF | As2 Ru | P n n m | 5.4279; 6.1834; 2.9685 90; 90; 90 | 99.631 | RuAs2; Kjekshus A; Rakke T; Andresen A F Compounds with the marcasite type crystal structure. XII. Structural data for RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2 Locality: synthetic Acta Chemica Scandinavica A, 1977, 31, 253-259 |
| 9009915 | CIF | Ru Sb2 | P n n m | 5.9514; 6.6743; 3.179 90; 90; 90 | 126.274 | Kjekshus, A.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XII. Structural data for RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2 Acta Chemica Scandinavica A, 1977, 31, 253-259 |
| 9009916 | CIF | Os P2 | P n n m | 5.1012; 5.9022; 2.9183 90; 90; 90 | 87.865 | Kjekshus, A.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XII. Structural data for RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2 Acta Chemica Scandinavica A, 1977, 31, 253-259 |
| 9009917 | CIF | As2 Os | P n n m | 5.4115; 6.19; 3.0127 90; 90; 90 | 100.917 | OsAs2; Kjekshus A; Rakke T; Andresen A F Compounds with the marcasite type crystal structure. XII. Structural data for RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2 Locality: synthetic Acta Chemica Scandinavica A, 1977, 31, 253-259 |
| 9009918 | CIF | Os Sb2 | P n n m | 5.9411; 6.6873; 3.2109 90; 90; 90 | 127.569 | Kjekshus, A.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XII. Structural data for RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2 Acta Chemica Scandinavica A, 1977, 31, 253-259 |
| 9009919 | CIF | O2 Zr | P b c 21 | 5.068; 5.26; 5.077 90; 90; 90 | 135.341 | Kisi, E. H.; Howard, C. J.; Hill, R. J. Crystal structure of orthorhombic zirconia in partially stabilized zirconia Journal of the American Ceramic Society, 1989, 72, 1757-1760 |
| 9009920 | CIF | Fe2 Ni0.5 O4 Zn0.5 | F d -3 m :1 | 8.4025; 8.4025; 8.4025 90; 90; 90 | 593.233 | Wolska, E.; Wolski, W.; Piszora, P.; Pietrusik, M.; Subrt, J.; Grygar, T.; Nejezchleba, M. X-ray powder diffraction and Mossbauer studies on the formation of Cd0.5Ni0.5Fe2O4/Zn0.5Ni0.5Fe2O4 spinel solid solutions International Journal of Inorganic Materials, 1999, 1, 187-192 |
| 9009921 | CIF | Cd0.1 Fe2 Ni0.5 O4 Zn0.4 | F d -3 m :1 | 8.4426; 8.4426; 8.4426 90; 90; 90 | 601.767 | Wolska, E.; Wolski, W.; Piszora, P.; Pietrusik, M.; Subrt, J.; Grygar, T.; Nejezchleba, M. X-ray powder diffraction and Mossbauer studies on the formation of Cd0.5Ni0.5Fe2O4/Zn0.5Ni0.5Fe2O4 spinel solid solutions International Journal of Inorganic Materials, 1999, 1, 187-192 |
| 9009922 | CIF | Cd0.2 Fe2 Ni0.5 O4 Zn0.3 | F d -3 m :1 | 8.4626; 8.4626; 8.4626 90; 90; 90 | 606.054 | Wolska, E.; Wolski, W.; Piszora, P.; Pietrusik, M.; Subrt, J.; Grygar, T.; Nejezchleba, M. X-ray powder diffraction and Mossbauer studies on the formation of Cd0.5Ni0.5Fe2O4/Zn0.5Ni0.5Fe2O4 spinel solid solutions International Journal of Inorganic Materials, 1999, 1, 187-192 |
| 9009923 | CIF | Cd0.3 Fe2 Ni0.5 O4 Zn0.2 | F d -3 m :1 | 8.5013; 8.5013; 8.5013 90; 90; 90 | 614.407 | Wolska, E.; Wolski, W.; Piszora, P.; Pietrusik, M.; Subrt, J.; Grygar, T.; Nejezchleba, M. X-ray powder diffraction and Mossbauer studies on the formation of Cd0.5Ni0.5Fe2O4/Zn0.5Ni0.5Fe2O4 spinel solid solutions International Journal of Inorganic Materials, 1999, 1, 187-192 |
| 9009924 | CIF | Cd0.4 Fe2 Ni0.5 O4 Zn0.1 | F d -3 m :1 | 8.5203; 8.5203; 8.5203 90; 90; 90 | 618.536 | Wolska, E.; Wolski, W.; Piszora, P.; Pietrusik, M.; Subrt, J.; Grygar, T.; Nejezchleba, M. X-ray powder diffraction and Mossbauer studies on the formation of Cd0.5Ni0.5Fe2O4/Zn0.5Ni0.5Fe2O4 spinel solid solutions International Journal of Inorganic Materials, 1999, 1, 187-192 |
| 9009925 | CIF | Cd0.5 Fe2 Ni0.5 O4 | F d -3 m :1 | 8.5665; 8.5665; 8.5665 90; 90; 90 | 628.652 | Wolska, E.; Wolski, W.; Piszora, P.; Pietrusik, M.; Subrt, J.; Grygar, T.; Nejezchleba, M. X-ray powder diffraction and Mossbauer studies on the formation of Cd0.5Ni0.5Fe2O4/Zn0.5Ni0.5Fe2O4 spinel solid solutions International Journal of Inorganic Materials, 1999, 1, 187-192 |
| 9009926 | CIF | F6 O9 Si2 Ti Y4 | C m c m | 14.949; 10.626; 7.043 90; 90; 90 | 1118.77 | Balko, V. P.; Bakakin, V. V. Crystal-structure of natural yttrium and rare-earth fluorotitano-silicate (Y,Ree)4(F,OH)6TiO[SiO4]2 (yftisite) Zhurnal Strukturnoi Khimii, 1975, 16, 837-842 |
| 9009927 | CIF | Ca2 H4 Mg O10 P2 | P -1 | 5.7344; 6.78; 5.4413 97.29; 108.56; 107.28 | 185.681 | Brotherton, P. D.; Maslen, E. N.; Pryce, M. W.; White, A. H. Crystal structure of collinsite Australian Journal of Chemistry, 1974, 27, 653-656 |
| 9009928 | CIF | Cu Ga S2 | I -4 2 d | 5.351; 5.351; 10.48 90; 90; 90 | 300.076 | Brandt, G.; Rauber, A.; Schneider, J. ESR and X-ray analysis of the ternary semiconductors CuAlS2, CuInS2, and AgGaS2 Locality: Synthetic sample Note: Chalcopyrite structure Solid State Communications, 1973, 12, 481-483 |
| 9009929 | CIF | Cu In S2 | I -4 2 d | 5.523; 5.523; 11.12 90; 90; 90 | 339.199 | Brandt, G.; Rauber, A.; Schneider, J. ESR and X-ray analysis of the ternary semiconductors CuAlS2, CuInS2, and AgGaS2 Locality: Synthetic sample Note: chalcopyrite structure Solid State Communications, 1973, 12, 481-483 |
| 9009930 | CIF | Al Cu S2 | I -4 2 d | 5.3336; 5.3336; 10.444 90; 90; 90 | 297.103 | Brandt, G.; Rauber, A.; Schneider, J. ESR and X-ray analysis of the ternary semiconductors CuAlS2, CuInS2, and AgGaS2 Locality: Synthetic sample Note: chalcopyrite structure Solid State Communications, 1973, 12, 481-483 |
| 9009931 | CIF | Ag Ga S2 | I -4 2 d | 5.754; 5.754; 10.295 90; 90; 90 | 340.852 | Brandt, G.; Rauber, A.; Schneider, J. ESR and X-ray analysis of the ternary semiconductors CuAlS2, CuInS2, and AgGaS2 Locality: Synthetic sample Note: chalcopyrite structure Solid State Communications, 1973, 12, 481-483 |
| 9009932 | CIF | Ag As S2 | A 1 2/a 1 | 17.23; 7.78; 15.19 90; 101.2; 90 | 1997.43 | Hellner, E.; Burzlaff, H. Die struktur des smithits AgAsS2 Naturwissenschaften, 1964, 51, 35-36 |
| 9009933 | CIF | S4 V | I 1 2/c 1 | 6.78; 10.42; 12.11 90; 100.8; 90 | 840.388 | Allmann, R.; Baumann, I.; Kutoglu, A.; Rosch, H.; Hellner, E. Die kristallstruktur des patronits V(S2)2 Locality: Minasraga, Peru Naturwissenschaften, 1964, 51, 263-264 |
| 9009934 | CIF | Fe1.08 H14 Mg0.2 Mn0.25 O16 S2 Zn0.47 | P 1 21/n 1 | 10.51; 17.85; 7.14 90; 100; 90 | 1319.14 | Suesse P Die kristallstruktur des botryogens Locality: Quetena, Chile Naturwissenschaften, 1967, 54, 139-139 |
| 9009935 | CIF | C2 Ba Mg O6 | R 3 2 :H | 5.017; 5.017; 16.77 90; 90; 120 | 365.554 | Lippmann, F. Die kristallstruktur des norsethit, BaMg(CO3)2, im vergleich zum dolomit, CaMg(CO3)2 Naturwissenschaften, 1967, 54, 514-514 |
| 9009936 | CIF | B Be2 H5 O5 | P 3 2 1 | 4.43; 4.43; 5.34 90; 90; 120 | 90.757 | Schlatti, M. Synthese und strukturtyp des berylliumborates Be2BO3(OH)*H2O Naturwissenschaften, 1967, 54, 587-587 |
| 9009937 | CIF | Al11 Na O17 | P 63/m m c | 5.5962; 5.5962; 22.526 90; 90; 120 | 610.944 | Felsche, J. Zur kristallstruktur von beta-aluminiumoxid Note: x,y coordinates of O3 altered to produce a more reasonable structure Naturwissenschaften, 1967, 54, 612-613 |
| 9009938 | CIF | Al6 Ca4 O16 S | I -4 3 m | 9.205; 9.205; 9.205 90; 90; 90 | 779.958 | Saalfeld, H.; Depmeier, W. Silicon-free compounds with sodalite structure Note: Very short S-O bondlength of 1.26 angstroms Kristall und Technik, 1972, 7, 229-233 |
| 9009939 | CIF | Ca2.64 O12 Pb0.51 Te2.09 Zn2.61 | I 41 3 2 | 12.621; 12.621; 12.621 90; 90; 90 | 2010.4 | Rozhdestvenskaya, I. V.; Zajakina, N. V.; Kim, A. A. Crystal structure of a zinc calcium tellurate - yafsoanite Mineralogiceskij Zhurnal, 1984, 6, 75-79 |
| 9009940 | CIF | Cu Ir2 S4 | I 41/a m d :1 | 6.8645; 6.8645; 10.0257 90; 90; 90 | 472.425 | Furubayashi, T.; Matsumoto, T.; Hagino, T.; Nagata, S. Structural and magnetic studies of metal-insulator transition in thiospinel CuIr2S4 Sample: T = 10 K, low temperature form Journal of the Physical Society of Japan, 1994, 63, 3333-3339 |
| 9009941 | CIF | Cu Ir2 S4 | F d -3 m :1 | 9.8474; 9.8474; 9.8474 90; 90; 90 | 954.915 | Furubayashi, T.; Matsumoto, T.; Hagino, T.; Nagata, S. Structural and magnetic studies of metal-insulator transition in thiospinel CuIr2S4 Sample: T = 295 K Journal of the Physical Society of Japan, 1994, 63, 3333-3339 |
| 9009942 | CIF | C4 Mg2 Na6 O16 S | F d -3 m :1 | 13.9; 13.9; 13.9 90; 90; 90 | 2685.62 | Shiba, H.; Watanabe, T. Les structures des cristaux de northupite, de northupite bromee et de tychite Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1931, 193, 1421-1423 |
| 9009943 | CIF | O3 Sn Ta | P 1 | 3.88; 3.88; 3.88 90; 90; 90 | 58.411 | Gasperin, M. Synthese et identification de deux oxydes doubles de tantale et d'etain Sample: synthetic Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1955, 240, 2340-2342 |
| 9009949 | CIF | Al1.8 B Ca1.65 Fe0.2 H0.5 Mg0.1 Mn1.2 O16 Si4 | P -1 | 7.162; 9.207; 8.972 91.84; 98.16; 77.34 | 571.39 | Belokoneva E L; Pletnev P A; Spiridonov E M Crystal structure of low-manganese tinzenite (severginite) Note: O2 position not included in the paper, so we deduced it from the reported bondlengths Locality: Tungatarovskoe manganese deposit, Izhevsk, Udmurt Republic, Russia Crystallography Reports, 1997, 42, 934-937 |
| 9009950 | CIF | Ca1.4 K0.53 Na0.5 O20 Si8 Th | P 4/m c c | 7.5792; 7.5792; 14.7042 90; 90; 90 | 844.672 | Kabalov Yu, K.; Sokolova, E. V.; Pautov, L. A.; Schneider, J. Crystal structure of a new mineral turkestanite: a calcium analogue of steacyite Locality: Dzhelisu massif, Alayskiy range, Tien Shan, Kyrgyzstan Note: calculated Biso's disagree with reported values Note: z(O3) adjusted to match reported bond lengths Crystallography Reports, 1998, 43, 584-588 |
| 9009951 | CIF | C5 Ba0.318 Ca0.834 Ce0.222 La0.114 Na2.184 Nd0.048 O15 Pr0.018 Sr1.899 Y0.03 | P 63 m c | 10.5313; 10.5313; 6.4829 90; 90; 120 | 622.679 | Belovitskaya Yu, V.; Pekov, I. V.; Kabalov Yu, K. Refinement of the crystal structures of low-rare-earth and "typical" burbankites by the Rietveld method Sample: B-108 Note: x02 adjusted to satisfy symmetry constraints Crystallography Reports, 2000, 45, 26-29 |
| 9009952 | CIF | C5 Ba0.378 Ca1.131 Ce0.018 La0.051 Na1.86 O15 Sr2.151 Y0.018 | P 63 m c | 10.5263; 10.5263; 6.5392 90; 90; 120 | 627.49 | Belovitskaya Yu, V.; Pekov, I. V.; Kabalov Yu, K. Refinement of the crystal structures of low-rare-earth and "typical" burbankites by the Rietveld method Sample: B-104 Crystallography Reports, 2000, 45, 26-29 |
| 9009953 | CIF | Al1.88 B Ca1.42 Fe0.21 H0.5 Mg0.03 Mn1.46 O16 Si4 | P -1 | 7.154; 9.126; 8.949 91.88; 98.8; 77.05 | 562.694 | Belokoneva E L; Goryunova A N; Pletnev P A; Spiridonov E M Crystal structure of high-manganese tinzenite from the Falotta deposit in Switzerland Crystallography Reports, 2001, 46, 30-32 |
| 9009954 | CIF | Ca0.38 Fe0.36 H18 Mn1.26 Na6.24 Nb0.4 O54 Si18 Ti1.4 Zr0.42 | P -3 | 10.036; 10.036; 12.876 90; 90; 120 | 1123.14 | Yamnova, N. A.; Egorov-Tismenko Y K; Pekov, I. V.; Shchegol'kova, L. V. Crystal structure of tisinalite Na2(Mn,Ca)1-x(Ti,Zr,Nb,Fe3+)[Si6O8(O,OH)10] Crystallography Reports, 2003, 48, 551-556 |
| 9009955 | CIF | Al2 H4 Na1.862 O13.667 Si4 | R -3 :R | 11.909; 11.909; 11.909 109.51; 109.51; 109.51 | 1298.31 | Yokomori, Y.; Idaka, S. The crystal structure of analcime Microporous and Mesoporous Materials, 1998, 21, 365-370 |
| 9009956 | CIF | Al3.974 Ca0.56 H56 K0.864 Na2.476 O47.17 Si14.026 | A m m a | 13.598; 18.177; 17.79 90; 90; 90 | 4397.17 | Sacerdoti, M.; Sani, A.; Vezzalini, G. Structural refinement of two barrerites from Alaska Note: sample 1 Microporous and Mesoporous Materials, 1999, 30, 103-109 |
| 9009957 | CIF | Al3.974 Ca0.97 H58 K1.68 Na2.79 O46.3 Si14.026 | A m m a | 13.586; 18.184; 17.812 90; 90; 90 | 4400.42 | Sacerdoti, M.; Sani, A.; Vezzalini, G. Structural refinement of two barrerites from Alaska Note: sample 3 Microporous and Mesoporous Materials, 1999, 30, 103-109 |
| 9009958 | CIF | Al Ge3 O8 Rb | P n m a | 8.848; 9.55; 10.01 90; 90; 90 | 845.829 | Tripathi, A.; Parise, J. B. Hydrothermal synthesis and structural characterization of the aluminogermanate analogues of JBW, montesommaite, analcime and paracelsian Sample: Rb-AlGe-Para Microporous and Mesoporous Materials, 2002, 52, 65-78 |
| 9009959 | CIF | Al0.77 Ge1.23 H4 K0.77 O4.5 | I -4 2 d | 7.373; 7.373; 17.513 90; 90; 90 | 952.026 | Tripathi, A.; Parise, J. B. Hydrothermal synthesis and structural characterization of the aluminogermanate analogues of JBW, montesommaite, analcime and paracelsian Sample: K-AlGe-MON Microporous and Mesoporous Materials, 2002, 52, 65-78 |
| 9009960 | CIF | Al Cs Ge2 O6 | I -4 3 d | 13.945; 13.945; 13.945 90; 90; 90 | 2711.79 | Tripathi, A.; Parise, J. B. Hydrothermal synthesis and structural characterization of the aluminogermanate analogues of JBW, montesommaite, analcime and paracelsian Sample: Cs-AlGe-ANA Microporous and Mesoporous Materials, 2002, 52, 65-78 |
| 9009961 | CIF | Al2 Ca F4 H4 O4 | C 1 2/c 1 | 6.76; 11.12; 7.32 90; 95; 90 | 548.159 | Pudovkina, Z. V.; Chernitsova, N. M.; Pyatenko, Y. A. Refinement of the crystalline structure of prosopite, CaAl2F4(OH)4 Journal of Structural Chemistry, 1973, 14, 345-347 |
| 9009962 | CIF | Al F4 H3 O2 Sr | P 1 21/c 1 | 5.02; 10.62; 8.73 90; 102.7; 90 | 454.031 | Pudovkina, Z. V.; Chernitsova, N. M.; Pyatenko Yu, A. Crystal structure refinement of tikhonenkovite Sr2[Al2F8(OH)2]*2H2O Journal of Structural Chemistry, 1973, 14, 445-448 |
| 9009963 | CIF | Al0.94 N0.94 O6 Si2.06 | I 41/a :2 | 13.218; 13.218; 13.71 90; 90; 90 | 2395.35 | Moroz, N. K.; Seryotkin Yu, V.; Afanasiev, I. S.; Belitzkii, I. A. Arrangement of extraframework cations in NH4-analcime Note: O5 positions taken from ICSD Note: x(Al1) corrected Journal of Structural Chemistry, 1998, 39, 281-283 |
| 9009964 | CIF | Fe2 K2 Mg3 O30 Si12 | P 6/m c c | 10.22; 10.22; 14.176 90; 90; 120 | 1282.29 | Nguyen, N.; Choisnet, J.; Raveau, B. Silicates synthetiques a structure milarite Journal of Solid State Chemistry, 1980, 34, 1-9 |
| 9009965 | CIF | K Mg5 Na O30 Si12 | P 6/m c c | 10.152; 10.152; 14.28 90; 90; 120 | 1274.56 | Nguyen, N.; Choisnet, J.; Raveau, B. Silicates synthetiques a structure milarite Journal of Solid State Chemistry, 1980, 34, 1-9 |
| 9009966 | CIF | Cu2 K2 Mg3 O30 Si12 | P 6/m c c | 10.169; 10.169; 14.182 90; 90; 120 | 1270.06 | Nguyen, N.; Choisnet, J.; Raveau, B. Silicates synthetiques a structure milarite Journal of Solid State Chemistry, 1980, 34, 1-9 |
| 9009967 | CIF | K2 Mg3 O30 Si12 Zn2 | P 6/m c c | 10.199; 10.199; 14.145 90; 90; 120 | 1274.23 | Nguyen, N.; Choisnet, J.; Raveau, B. Silicates synthetiques a structure milarite Journal of Solid State Chemistry, 1980, 34, 1-9 |
| 9009968 | CIF | Mg5 Na2 O30 Si12 | P 6/m c c | 10.151; 10.151; 14.288 90; 90; 120 | 1275.03 | Nguyen, N.; Choisnet, J.; Raveau, B. Silicates synthetiques a structure milarite Journal of Solid State Chemistry, 1980, 34, 1-9 |
| 9009969 | CIF | Cu2 Mg3 Na2 O30 Si12 | P 6/m c c | 10.096; 10.096; 14.25 90; 90; 120 | 1257.89 | Nguyen, N.; Choisnet, J.; Raveau, B. Silicates synthetiques a structure milarite Journal of Solid State Chemistry, 1980, 34, 1-9 |
| 9009970 | CIF | Mg5 Na O30 Rb Si12 | P 6/m c c | 10.135; 10.135; 14.376 90; 90; 120 | 1278.84 | Nguyen, N.; Choisnet, J.; Raveau, B. Silicates synthetiques a structure milarite Journal of Solid State Chemistry, 1980, 34, 1-9 |
| 9009971 | CIF | K3 Li Mg4 O30 Si12 | P 6/m c c | 10.253; 10.253; 14.04 90; 90; 120 | 1278.2 | Nguyen, N.; Choisnet, J.; Raveau, B. Silicates synthetiques a structure milarite Journal of Solid State Chemistry, 1980, 34, 1-9 |
| 9009972 | CIF | Li Mg4 Na3 O30 Si12 | P 6/m c c | 10.155; 10.155; 14.158 90; 90; 120 | 1264.42 | Nguyen, N.; Choisnet, J.; Raveau, B. Silicates synthetiques a structure milarite Journal of Solid State Chemistry, 1980, 34, 1-9 |
| 9009973 | CIF | As0.2 Cl H0.5 O2 Pb1.5 Sb0.3 | I 4/m m m | 3.919; 3.919; 12.854 90; 90; 90 | 197.419 | Rouse, R. C.; Dunn, P. J. The structure of thorisokite, a naturally occurring member of the bismuth oxyhalide group Journal of Solid State Chemistry, 1985, 57, 389-395 |
| 9009974 | CIF | Al1.98 Fe0.99 H44 Mg0.02 Mn0.01 O38 S4 | P 1 21/c 1 | 6.1954; 24.262; 21.262 90; 100.3; 90 | 3144.45 | Lovas, G. A. Structural study of halotrichite from Recsk (Matra Mts., N-Hungary) Acta Geologica Hungarica, 1986, 29, 389-398 |
| 9009975 | CIF | C24 H12 | P 1 21/a 1 | 16.11; 4.7; 10.1 90; 110.9; 90 | 714.425 | Fawcett J K; Trotter J The crystal and molecular structure of coronene Locality: synthetic Proceedings of the Royal Society of London A, 1966, 289, 366-376 |
| 9009976 | CIF | Ca2 Fe5 Na O24 Si8 | C 1 2/m 1 | 9.984; 18.223; 5.327 90; 105.05; 90 | 935.943 | Guha, R.; Nag, D. K.; Iyengar, S. V. P. Structure of an amphibole from Simlipal granite, India Indian Minerals, 1987, 41, 32-41 |
| 9009977 | CIF | As H O4 Pb | P 1 2/c 1 | 4.93; 6.772; 5.859 90; 96.07; 90 | 194.512 | Wilson, C. C.; Cox, P. J.; Stewart, N. S. Structure and disorder in schultenite, lead hydrogen arsenate Journal of Crystallographic and Spectroscopic Research, 1991, 21, 589-593 |
| 9009978 | CIF | Ca2.019 F0.165 O8.832 P1.182 | P 63/m | 9.3207; 9.3207; 6.8947 90; 90; 120 | 518.732 | Perdikatsis, B. X-ray powder diffraction study of francolite by the Rietveld method Sample: T = 26 C Note: Reported structure does not reproduce reported formula or bondlengths Materials Science Forum, 1991, 809-814 |
| 9009979 | CIF | Ca2.07 F0.163 O8.922 P1.239 | P 63/m | 9.323; 9.323; 6.8987 90; 90; 120 | 519.289 | Perdikatsis, B. X-ray powder diffraction study of francolite by the Rietveld method Sample: T = 530 C Note: Reported structure does not reproduce reported formula or bondlengths Materials Science Forum, 1991, 809-814 |
| 9009980 | CIF | Ca2.108 F0.171 O8.817 P1.362 | P 63/m | 9.3593; 9.3593; 6.8919 90; 90; 120 | 522.825 | Perdikatsis, B. X-ray powder diffraction study of francolite by the Rietveld method Sample: T = 750 C Note: Reported structure does not reproduce reported formula or bondlengths Materials Science Forum, 1991, 809-814 |
| 9009981 | CIF | Ca2.176 F0.169 O8.973 P1.488 | P 63/m | 9.3708; 9.3708; 6.888 90; 90; 120 | 523.814 | Perdikatsis, B. X-ray powder diffraction study of francolite by the Rietveld method Sample: T = 1200 C Note: Reported structure does not reproduce reported formula or bondlengths Materials Science Forum, 1991, 809-814 |
| 9009982 | CIF | Ni Ti0.88 | P -3 | 4.2579; 4.2579; 5.2149 90; 90; 120 | 81.878 | Sitepu, H.; Wright, J. P.; Hansen, T.; Chateigner, D.; Brokmeier, H. G.; Ritter, C.; Ohba, T. Combined synchrotron and neutron structural refinement of R-phase in Ti50.75Ni47.75Fe1.50 shape memory alloy Materials Science Forum, 2005, 495, 255-260 |
| 9009983 | CIF | Ni Ti0.875 | P 3 | 4.2579; 4.2579; 5.2149 90; 90; 120 | 81.878 | Sitepu, H.; Wright, J. P.; Hansen, T.; Chateigner, D.; Brokmeier, H. G.; Ritter, C.; Ohba, T. Combined synchrotron and neutron structural refinement of R-phase in Ti50.75Ni47.75Fe1.50 shape memory alloy Materials Science Forum, 2005, 495, 255-260 |
| 9009984 | CIF | Ni Ti0.876 | P 3 1 m | 4.2579; 4.2579; 5.2149 90; 90; 120 | 81.878 | Sitepu, H.; Wright, J. P.; Hansen, T.; Chateigner, D.; Brokmeier, H. G.; Ritter, C.; Ohba, T. Combined synchrotron and neutron structural refinement of R-phase in Ti50.75Ni47.75Fe1.50 shape memory alloy Materials Science Forum, 2005, 495, 255-260 |
| 9009985 | CIF | Fe2 H O9 Sb Si2 | C 1 m 1 | 5.225; 8.997; 7.78 90; 101.71; 90 | 358.121 | Ballirano, P.; Maras, A.; Marchetti, F.; Merlino, S.; Perchiazzi, N. Rietveld refinement of chapmanite SbFe2Si2O8OH, a TO dioctahderal kaolinite-like mineral Powder Diffraction, 1998, 13, 44-49 |
| 9009986 | CIF | As0.667 Cu H2.752 O3 | P m m a | 8.3212; 2.9377; 4.6644 90; 90; 90 | 114.022 | Sarp H; Cerny R Theoparacelsite, Cu3(OH)2As2O7, a new mineral: its description and crystal structure Archives des Sciences, Geneve, 2001, 54, 7-14 |
| 9009987 | CIF | Al10 H2 O16 | P 63 m c | 5.575; 5.575; 8.761 90; 90; 120 | 235.816 | Yamaguchi, G.; Okumiya, M.; Ono, S. Refinement of the structure of tohdite 5Al2O3*H2O Bulletin of the Chemical Society of Japan, 1969, 42, 2247-2249 |
| 9009988 | CIF | Al3 Ba F4 H4 Li Mg2 O16 Si4 | C c c a :2 | 13.587; 20.164; 5.144 90; 90; 90 | 1409.29 | Peng, Z.; Ma, Z.; Han, S. The refinement of crystal structure of balipholite Scientia Sinica B, 1987, 30, 779-784 |
| 9009989 | CIF | Al2.165 Ca0.592 H20 K0.023 Mg0.023 Na0.09 O20.64 Si5.835 | C 1 2/c 1 | 17.983; 17.966; 14.625 90; 114.31; 90 | 4306.12 | Alberti, A.; Cruciani, G.; Galli, E.; Merlino, S.; Millini, R.; Quartieri, S.; Vezzalini, G.; Zanardi, S. Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta Sample: large crystal, monoclinic Journal of Physical Chemistry B, 2002, 106, 10277-10284 |
| 9009990 | CIF | Al2.74 Ca0.89 H30 K0.11 Mg0.08 Na0.08 O40.34 Si13.26 | P 41 2 2 | 12.634; 12.634; 26.608 90; 90; 90 | 4247.12 | Alberti, A.; Cruciani, G.; Galli, E.; Merlino, S.; Millini, R.; Quartieri, S.; Vezzalini, G.; Zanardi, S. Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta Sample: small crystal, tetragonal Note: Mg position adjusted to match reported bond lengths Journal of Physical Chemistry B, 2002, 106, 10277-10284 |
| 9009991 | CIF | Ag3 As S3 | R 3 c :H | 10.767; 10.767; 8.713 90; 90; 120 | 874.758 | Allen, S. Phase transitions in proustite I. Structural studies Sample: T = 35 K Phase Transition, 1985, 6, 1-24 |
| 9009992 | CIF | Ag3 As S3 | R 3 c :H | 10.768; 10.768; 8.72 90; 90; 120 | 875.623 | Allen, S. Phase transitions in proustite I. Structural studies Sample: T = 63 K Phase Transition, 1985, 6, 1-24 |
| 9009993 | CIF | Ag3 As S3 | R 3 c :H | 10.825; 10.825; 8.704 90; 90; 120 | 883.294 | Allen, S. Phase transitions in proustite I. Structural studies Sample: T = 300 K Note: calculated Ag-S bondlengths do not match those reported Phase Transition, 1985, 6, 1-24 |
| 9009994 | CIF | F3 La | P 63/m m c | 4.148; 4.148; 7.354 90; 90; 120 | 109.58 | Schlyter, K. On the crystal structure of fluorides of the tysonite LaF3 type Arkiv for Kemi, 1952, 5, 73-82 |
| 9009995 | CIF | C4 Mg2 Na6 O16 S | F d -3 :1 | 13.9; 13.9; 13.9 90; 90; 90 | 2685.62 | Watanabe, T. Les structures cristallines de la northupite 2MgCO32Na2CO32NaCl et de la tychite 2MgCO32Na2CO3Na2SO4 Scientific Papers of the Institute of Physical and Chemical Research, 1933, 21, 40-62 |
| 9009996 | CIF | As0.8 H2 Na2 O2 S13 Sb7.2 | C 1 m 1 | 9.911; 23.05; 7.097 90; 127.85; 90 | 1280.21 | Nakai, I.; Appleman, D. E. The crystal structure of gerstleyite Na2(Sb,As)8S13*2H2O: the first sulfosalt mineral of sodium Chemistry Letters, 1981, 1981, 1327-1330 |
| 9009997 | CIF | Cl0.827 Cu7.5 H27.75 N0.021 O28.487 S0.056 | P 63/m m c | 15.7866; 15.7866; 9.1015 90; 90; 120 | 1964.36 | Hibbs, D. E.; Leverett, P.; Williams, P. A. Connellite from Bisbee, Arizona: A single-crystal X-ray study Axis, 2006, 2, 1-7 |
| 9009998 | CIF | Al0.2 Be2 Ca Fe1.6 H6.71 Mg0.2 Mn0.35 O17 P3 | C 1 2/c 1 | 15.903; 11.885; 6.677 90; 94.68; 90 | 1257.79 | Rastsvetaeva R K; Gurbanova O A; Chukanov N V Crystal structure of greifensteinite Ca2Be4(Fe2+,Mn)5(PO4)6(OH)4*6H2O Locality: Greifenstein, Saxony, Germany Doklady Chemistry, 2002, 383, 78-81 |
| 9009999 | CIF | H2 K O4 P | I -4 2 d | 7.4264; 7.4264; 6.931 90; 90; 90 | 382.254 | Nelmes, R. J.; Meyer, G. M.; Tibballs, J. E. The crystal structure of tetragonal KH2PO4 and KD2PO4 as a function of temperature Sample: T = 127 K Journal of Physics C: Solid State Physics, 1982, 15, 59-75 |
| 9010000 | CIF | H2 K O4 P | I -4 2 d | 7.4521; 7.4521; 6.974 90; 90; 90 | 387.293 | Nelmes, R. J.; Meyer, G. M.; Tibballs, J. E. The crystal structure of tetragonal KH2PO4 and KD2PO4 as a function of temperature Sample: T = 295 K Journal of Physics C: Solid State Physics, 1982, 15, 59-75 |
| 9010001 | CIF | D2 K O4 P | I -4 2 d | 7.459; 7.459; 6.957 90; 90; 90 | 387.064 | Nelmes, R. J.; Meyer, G. M.; Tibballs, J. E. The crystal structure of tetragonal KH2PO4 and KD2PO4 as a function of temperature Sample: T = 227 K Journal of Physics C: Solid State Physics, 1982, 15, 59-75 |
| 9010002 | CIF | D2 K O4 P | I -4 2 d | 7.4794; 7.4794; 6.995 90; 90; 90 | 391.31 | Nelmes, R. J.; Meyer, G. M.; Tibballs, J. E. The crystal structure of tetragonal KH2PO4 and KD2PO4 as a function of temperature Sample: T = 263 K Journal of Physics C: Solid State Physics, 1982, 15, 59-75 |
| 9010003 | CIF | As Ni | C m c 21 | 10.8568; 6.2682; 5.034 90; 90; 90 | 342.577 | Thompson, J. G.; Rae, A. D.; Withers, R. L.; Welberry, T. R.; Willis, A. C. The crystal structure of nickel arsenide Note: room temperature, solution 1 Journal of Physics C: Solid State Physics, 1988, 21, 4007-4015 |
| 9010004 | CIF | As Ni | C m c 21 | 10.8568; 6.2682; 5.034 90; 90; 90 | 342.577 | Thompson, J. G.; Rae, A. D.; Withers, R. L.; Welberry, T. R.; Willis, A. C. The crystal structure of nickel arsenide Note: room temperature, solution 2 Journal of Physics C: Solid State Physics, 1988, 21, 4007-4015 |
| 9010005 | CIF | Cl O2 Pb Sb | C m c m | 5.603; 12.245; 5.448 90; 90; 90 | 373.78 | Giuseppetti, G.; Tadini, C. Riesame della struttura cristallina della nadorite: PbSbO2Cl Periodico di Mineralogia, 1973, 42, 335-345 |
| 9010006 | CIF | Cl H4 N | P m -3 m | 3.86; 3.86; 3.86 90; 90; 90 | 57.512 | Vainshtein B K Refinement of the structure of the group NH4 in the structure of ammonium chloride Trudy Instituta Kristallografii Akademiya Nauk SSSR, 1956, 12, 18-24 |
| 9010007 | CIF | Fe H4 O6 P | P b c a | 8.722; 9.878; 10.1187 90; 90; 90 | 871.786 | Taxer, K.; Bartl, H. On the dimorphy between the variscite and clinovariscite group: refined finestructural relationship of strengite and clinostrengite, Fe(PO4)*2H2O Note: x(O3) corrected to match reported bond lengths Crystal Research and Technology, 2004, 39, 1080-1088 |
| 9010008 | CIF | Fe H4 O6 P | P 1 21/n 1 | 5.335; 9.808; 8.72 90; 90.54; 90 | 456.26 | Taxer, K.; Bartl, H. On the dimorphy between the variscite and clinovariscite group: refined finestructural relationship of strengite and clinostrengite, Fe(PO4)*2H2O Crystal Research and Technology, 2004, 39, 1080-1088 |
| 9010009 | CIF | Cr H O2 | P b n m | 4.492; 9.86; 2.974 90; 90; 90 | 131.722 | Milton, C.; Appleman, D. E.; Appleman, M. H.; Chao, E. C. T.; Cuttita, F.; Dinnin, J. I.; Dwornik, E. J.; Ingram, B. L.; Rose, H. J. Merumite, a complex assemblage of chromium minerals from Guyana U.S. Geological Survey Professional Paper, 1976, 887, 1-29 |
| 9010010 | CIF | Ni Ti | P 1 1 21/m | 2.8837; 4.6674; 4.1062 90; 90; 97.938 | 54.737 | Sitepu, H.; Schmahl, W. W.; Stalick, J. K. Correction of intensities for preferred orientation in neutron-diffraction data of NiTi shape-memory alloy using the generalized spherical-harmonic description Applied Physics A, 2002, 74, S1719-S1721 |
| 9010011 | CIF | Fe S2 | P a -3 | 5.38; 5.38; 5.38 90; 90; 90 | 155.721 | Ramsdell, L. S. The crystal structures of some metallic sulfides American Mineralogist, 1925, 10, 281-304 |
| 9010012 | CIF | Be2 H Na2 O16 Si6 | P n m a | 12.74; 13.63; 7.33 90; 90; 90 | 1272.83 | Robinson, P. D.; Fang, J. H. The crystal structure of epididymite Locality: Narsarsuk, Greenland American Mineralogist, 1970, 55, 1541-1549 |
| 9010013 | CIF | Ga H3 O3 | P m n 21 | 7.4865; 7.4379; 7.4963 90; 90; 90 | 417.423 | Scott, J. D. Crystal structure of a new mineral, sohngeite American Mineralogist, 1971, 56, 355-355 |
| 9010015 | CIF | Pb9 S21 Sb8 | C 1 2/c 1 | 13.603; 11.936; 24.453 90; 106.047; 90 | 3815.62 | Kohatsu, J. J.; Wuensch, B. J. Semseyite (Pb9Sb8S11) and the crystal chemistry of the plagionite group, Pb3+2nSb8S15+2n Note: structure from ICSD American Mineralogist, 1974, 59, 1127-1127 |
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