Crystallography Open Database
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Searching space group like 'P a -3'
COD ID  |
Links | Formula |
Space group |
Cell parameters | Cell volume  |
Bibliography |
|---|---|---|---|---|---|---|
| 9009218 | CIF | O2 Si | P a -3 | 3.9299; 3.9299; 3.9299 90; 90; 90 | 60.694 | Kuwayama, Y.; Hirose, K.; Sata, N.; Ohishi, Y. The pyrite-type high-pressure form of silica Sample: P = 271 GPa, T = 300 K Science, 2005, 309, 923-925 |
| 2022864 | CIF HKL Paper | N2 Si | P a -3 | 4.1205; 4.1205; 4.1205 90; 90; 90 | 69.96 | Jurzick, Pascal L.; Krach, Georg; Brüning, Lukas; Schnick, Wolfgang; Bykov, Maxim Synthesis and crystal structure of silicon pernitride SiN2 at 140 GPa Acta Crystallographica Section E Crystallographic Communications, 2023, 79 |
| 2104027 | CIF Paper | Ge O2 | P a -3 | 4.3365; 4.3365; 4.3365 90; 90; 90 | 81.55 | Shiraki, Koichi; Tsuchiya, Taku; Ono, Shigeaki Structural refinements of high-pressure phases in germanium dioxide Acta Crystallographica Section B, 2003, 59, 701-708 |
| 1525835 | CIF | Ge O2 | P a -3 | 4.4046; 4.4046; 4.4046 90; 90; 90 | 85.451 | Lodziana, Z.; Parlinski, K.; Hafner, J. Ab initio studies of high-pressure transformations in Ge O2 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 63, 1341061-1341067 |
| 1526236 | CIF | F2 Mg | P a -3 | 4.7615; 4.7615; 4.7615 90; 90; 90 | 107.952 | Haines, J.; Klug, D.D.; Leger, J.M.; Gorelli, F.; Tse, J.S.; Li, Z.Q. X-ray diffraction and theoretical studies of the high-pressure structures and phase transitions in magnesium fluoride Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 64, 1341101-13411010 |
| 1540048 | CIF | O2 Ru | P a -3 | 4.85892; 4.85892; 4.85892 90; 90; 90 | 114.715 | Haines, J.; Leger, J.M.; Schmidt, M.W.; da Jornada, J.A.H.; Petitet, J.P.; Pereira, A.S.; Hull, S. Structural characterisation of the Pa3- -type, high pressure phase of ruthenium dioxide Journal of Physics and Chemistry of Solids, 1998, 59, 239-243 |
| 1542235 | CIF | D | P a -3 | 5.084; 5.084; 5.084 90; 90; 90 | 131.406 | Mucker, K.F.; White, D.; Talhouk, S.; Harris, P.M. Crystal Structure of Para-enriched Solid Deuterium Below the lambda Transition Physical Review Letters, 1966, 16, 799-801 |
| 1539433 | CIF | Cd H0.24 O2 | P a -3 | 5.273; 5.273; 5.273 90; 90; 90 | 146.613 | Vannerberg, N.G. On the formation and structure of cadmium peroxides Arkiv foer Kemi, 1956, 10, 455-459 |
| 1008245 | CIF | F2 Pd | P a -3 | 5.329; 5.329; 5.329 90; 90; 90 | 151.3 | Tressaud, A; Soubeyroux, J L; Touhara, H; Demazeau, G; Langlais, F On a new structural type of fluorine compounds: crystal and magnetic structures of a high pressure form of Pd F~2~ Materials Research Bulletin, 1981, 16, 207-214 |
| 1544893 | CIF | Fe S2 | P a -3 | 5.3702; 5.3702; 5.3702 90; 90; 90 | 154.87 | Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 4.2 GPa Mineralogical Journal, 1986, 13, 202-211 |
| 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 |
| 1544892 | CIF | Fe S2 | P a -3 | 5.3825; 5.3825; 5.3825 90; 90; 90 | 155.94 | Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 3.1 GPa Mineralogical Journal, 1986, 13, 202-211 |
| 1564890 | CIF | Fe S2 | P a -3 | 5.41027; 5.41027; 5.41027 90; 90; 90 | 158.364 | Ma, KeYuan; Lefèvre, Robin; Li, Qingtian; Lago, Jorge; Blacque, Olivier; Yang, Wanli; von Rohr, Fabian O. Synthetic control over polymorph formation in the d-band semiconductor system FeS2 Chemical Science, 2021 |
| 9015842 | CIF | Fe S2 | P a -3 | 5.414; 5.414; 5.414 90; 90; 90 | 158.692 | Oftedal, I. Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit Zeitschrift fur Physikalische Chemie, 1928, 135, 291-299 |
| 9013069 | CIF | Fe S2 | P a -3 | 5.416; 5.416; 5.416 90; 90; 90 | 158.868 | Rieder, M.; Crelling, J. C.; Sustai, O.; Drabek, M.; Weiss, Z.; Klementova, M. Arsenic in iron disulfides in a brown coal from the North Bohemian Basin, Czech Republic Sample: As-free pyrite International Journal of Coal Geology, 2007, 71, 115-121 |
| 9000594 | CIF | Fe S2 | P a -3 | 5.4166; 5.4166; 5.4166 90; 90; 90 | 158.921 | Bayliss, P. Crystal structure refinement of a weakly anisotropic pyrite cubic model American Mineralogist, 1977, 62, 1168-1172 |
| 1544891 | CIF | Fe S2 | P a -3 | 5.417; 5.417; 5.417 90; 90; 90 | 158.956 | Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 1 atm Mineralogical Journal, 1986, 13, 202-211 |
| 5000115 | CIF | Fe S2 | P a -3 | 5.4179; 5.4179; 5.4179 90; 90; 90 | 159 | Brostigen, G; Kjekshus, A Redetermined crystal structure of Fe S2 (pyrite) Acta Chemica Scandinavica (1-27,1973-42,1988), 1969, 23, 2186-2188 |
| 7700358 | CIF | Fe S2 | P a -3 | 5.4178; 5.4178; 5.4178 90; 90; 90 | 159.026 | Zuñiga-Puelles, E; Cardoso-Gil, R; Bobnar, M.; Veremchuk, I.; Himcinschi, C.; Hennig, C.; Kortus, J.; Heide, G.; Gumeniuk, R. Structural stability and thermoelectric performance of high quality synthetic and natural pyrites (FeS<sub>2</sub>). Dalton transactions (Cambridge, England : 2003), 2019, 48, 10703-10713 |
| 9013070 | CIF | As0.026 Fe S1.974 | P a -3 | 5.428; 5.428; 5.428 90; 90; 90 | 159.926 | Rieder, M.; Crelling, J. C.; Sustai, O.; Drabek, M.; Weiss, Z.; Klementova, M. Arsenic in iron disulfides in a brown coal from the North Bohemian Basin, Czech Republic Sample: As-pyrite International Journal of Coal Geology, 2007, 71, 115-121 |
| 9013071 | CIF | As0.54 Fe S1.46 | P a -3 | 5.429; 5.429; 5.429 90; 90; 90 | 160.015 | Rieder, M.; Crelling, J. C.; Sustai, O.; Drabek, M.; Weiss, Z.; Klementova, M. Arsenic in iron disulfides in a brown coal from the North Bohemian Basin, Czech Republic Sample: natural As-pyrite International Journal of Coal Geology, 2007, 71, 115-121 |
| 1535652 | CIF | F4 Hg Pd | P a -3 | 5.43; 5.43; 5.43 90; 90; 90 | 160.103 | Mueller, B.G. Zur Struktur von Ca Pd F4, Cd Pd F4, Hg Pd F4 und HP-Pd F2 Journal of Fluorine Chemistry, 1982, 20, 291-299 |
| 4003029 | CIF | Ni P2 | P a -3 | 5.4475; 5.4475; 5.4475 90; 90; 90 | 161.656 | Owens-Baird, Bryan; Xu, Junyuan; Petrovykh, Dmitri Y.; Bondarchuk, Oleksandr; Ziouani, Yasmine; González-Ballesteros, Noelia; Yox, Philip; Sapountzi, Foteini M.; Niemantsverdriet, Hans; Kolen’ko, Yury V.; Kovnir, Kirill NiP2: A Story of Two Divergent Polymorphic Multifunctional Materials Chemistry of Materials, 2019, 31, 3407 |
| 9012503 | CIF | Ni P2 | P a -3 | 5.4706; 5.4706; 5.4706 90; 90; 90 | 163.721 | Donohue, P. C.; Bither, T. A.; Young, H. S. High-pressure synthesis of pyrite-type nickel diphosphide and nickel diarsenide Locality: synthetic Inorganic Chemistry, 1968, 7, 998-1001 |
| 9012266 | CIF | Ni P1.86 Se0.14 | P a -3 | 5.479; 5.479; 5.479 90; 90; 90 | 164.477 | Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78 |
| 1544896 | CIF | Co S2 | P a -3 | 5.4799; 5.4799; 5.4799 90; 90; 90 | 164.56 | Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 3.6 GPa Mineralogical Journal, 1986, 13, 202-211 |
| 2007414 | CIF | C O2 | P a -3 | 5.4942; 5.4942; 5.4942 90; 90; 90 | 165.85 | Downs, R. T.; Somayazulu, M. S. Carbon dioxide at 1.0 GPa Acta Crystallographica, Section C: Crystal Structure Communications, 1998, 54, 897-898 |
| 1544895 | CIF | Co S2 | P a -3 | 5.5068; 5.5068; 5.5068 90; 90; 90 | 166.993 | Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 1.9 GPa Mineralogical Journal, 1986, 13, 202-211 |
| 1544894 | CIF | Co S2 | P a -3 | 5.5348; 5.5348; 5.5348 90; 90; 90 | 169.55 | Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 1 atm Mineralogical Journal, 1986, 13, 202-211 |
| 9007682 | CIF | Co S2 | P a -3 | 5.5385; 5.5385; 5.5385 90; 90; 90 | 169.893 | Nowack, E.; Schwarzenbach, D.; Hahn, T. Charge densities in CoS2 and NiS2 (pyrite structure) Note: multipole model Acta Crystallographica, Section B, 1991, 47, 650-659 |
| 9008393 | CIF | Co S2 | P a -3 | 5.5385; 5.5385; 5.5385 90; 90; 90 | 169.893 | Nowack, E.; Schwarzenbach, D.; Gonschorek, W.; Hahn, T. Deformationsdichten in CoS2 und NiS2 mit pyritstruktur Note: T = 295 K Note: pyrite structure Zeitschrift fur Kristallographie, 1989, 186, 213-215 |
| 9008284 | CIF | Co0.8 Fe0.11 Ni0.09 S2 | P a -3 | 5.5387; 5.5387; 5.5387 90; 90; 90 | 169.912 | Pratt, J. L.; Bayliss, P. Crystal-structure refinement of cattierite Note: pyrite structure Zeitschrift fur Kristallographie, 1979, 150, 163-167 |
| 9006171 | CIF | Cu0.6 Fe0.4 S2 | P a -3 | 5.5624; 5.5624; 5.5624 90; 90; 90 | 172.102 | Schmid-Beurmann P; Lottermoser, W. 57Fe-Moessbauer spectra, electronic and crystal structure of members of the CuS2-FeS2 solid solution series Physics and Chemistry of Minerals, 1993, 19, 571-577 |
| 5910087 | CIF | Rh S2 | P a -3 | 5.57; 5.57; 5.57 90; 90; 90 | 172.809 | Wyckoff, R. W. G. Pages 234 & 238 from the second edition of Structure of Crystals by Wyckoff. Published by The Chemical Catalog Company, INC, New York in 1931. The second edition of Structure of Crystals, 1931, 234-238 |
| 9014377 | CIF | Ru S2 | P a -3 | 5.57; 5.57; 5.57 90; 90; 90 | 172.809 | Oftedal, I. Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit Zeitschrift fur Physikalische Chemie, 1928, 135, 291-299 |
| 1544741 | CIF | Ni S2 | P a -3 | 5.5745; 5.5745; 5.5745 90; 90; 90 | 173.23 | Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y. Structural behaviour of NiS2 up to 54 kbar :Sample at 54 kbar Mineralogical Journal, 1987, 13, 448-454 |
| 9000134 | CIF | As Co S | P a -3 | 5.582; 5.582; 5.582 90; 90; 90 | 173.928 | Giese, R. F.; Kerr, P. F. The crystal structures of ordered and disordered cobaltite disordered, annealed after heating in a vacuum to 850 C American Mineralogist, 1965, 50, 1002-1014 |
| 1539204 | CIF | Rh S2 | P a -3 | 5.585; 5.585; 5.585 90; 90; 90 | 174.209 | Thomassen, L. Ueber Kristallstrukturen einiqer binaerer Verbindungen der Platinmetalle II Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 4, 277-287 |
| 9001249 | CIF | Cu0.7 Fe0.3 S2 | P a -3 | 5.585; 5.585; 5.585 90; 90; 90 | 174.209 | Bayliss, P. Crystal chemistry and crystallography of some minerals within the pyrite group American Mineralogist, 1989, 74, 1168-1176 |
| 1544740 | CIF | Ni S2 | P a -3 | 5.5852; 5.5852; 5.5852 90; 90; 90 | 174.23 | Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y. Structural behaviour of NiS2 up to 54 kbar :Sample at 49 kbar Mineralogical Journal, 1987, 13, 448-454 |
| 1538443 | CIF | As Co S | P a -3 | 5.59; 5.59; 5.59 90; 90; 90 | 174.677 | Onorato, E. Roentgenographische Untersuchungen ueber den Kobaltglanz Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-), 1957, 91, 41-51 |
| 9007833 | CIF | Ru S4 | P a -3 | 5.6106; 5.6106; 5.6106 90; 90; 90 | 176.615 | Lutz, H. D.; Muller, B.; Schmidt, T.; Stingl, T. Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2 Acta Crystallographica, Section C, 1990, 46, 2003-2005 |
| 9016356 | CIF | Ru S2 | P a -3 | 5.6106; 5.6106; 5.6106 90; 90; 90 | 176.615 | Lutz, H. D.; Muller, B.; Schmidt, T.; Stingl, T. Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2 Acta Crystallographica, Section C, 1990, 46, 2003-2005 |
| 1538838 | CIF | Os S2 | P a -3 | 5.6188; 5.6188; 5.6188 90; 90; 90 | 177.391 | Meisel, K. Ueber die Gitterkonstante des Os S2 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1934, 219, 141-141 |
| 9008419 | CIF | Os S2 | P a -3 | 5.6194; 5.6194; 5.6194 90; 90; 90 | 177.447 | Stingl, T.; Muller, B.; Lutz, H. D. Crystal structure refinement of osmium(II) disulfide, OsS2 Zeitschrift fur Kristallographie, 1992, 202, 161-162 |
| 1544739 | CIF | Ni S2 | P a -3 | 5.6196; 5.6196; 5.6196 90; 90; 90 | 177.47 | Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y. Structural behaviour of NiS2 up to 54 kbar :Sample at 32 kbar Mineralogical Journal, 1987, 13, 448-454 |
| 1010489 | CIF | C O2 | P a -3 | 5.62; 5.62; 5.62 90; 90; 90 | 177.5 | Mark, H.; Pohland, E. Das Gitter des festen Kohlendioxyds Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie, 1924, 61, 293-298 |
| 1010492 | CIF | C O2 | P a -3 | 5.62; 5.62; 5.62 90; 90; 90 | 177.5 | de Smedt, J.; Keesom, W. H. Das Gitter des festen Kohlendioxyds Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie, 1925, 62, 312-313 |
| 1010498 | CIF | C O2 | P a -3 | 5.62; 5.62; 5.62 90; 90; 90 | 177.5 | Mark, H; Pohland, E Zur Kristallstruktur des festen Kohlendioxyds. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1926, 63, 113-114 |
| 9007643 | CIF | C O2 | P a -3 | 5.624; 5.624; 5.624 90; 90; 90 | 177.884 | Simon, A.; Peters, K. Single-crystal refinement of the structure of carbon dioxide Sample: T = 150 K Acta Crystallographica, Section B, 1980, 36, 2750-2751 |
| 1010060 | CIF | C O2 | P a -3 | 5.63; 5.63; 5.63 90; 90; 90 | 178.5 | de Smedt, J.; Keesom, W. H. The structure of solid nitrous oxide and carbon dioxide Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen, 1924, 27, 839-846 |
| 1010496 | CIF | C O2 | P a -3 | 5.63; 5.63; 5.63 90; 90; 90 | 178.5 | Kruener, H Die Kristallstruktur des festen Kohlendioxyds. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1926, 63, 275-283 |
| 5910010 | CIF | Co S2 | P a -3 | 5.64; 5.64; 5.64 90; 90; 90 | 179.406 | Wyckoff, R. W. G. Pages 234 & 236 from the second edition of Structure of Crystals by Wyckoff. Published by The Chemical Catalog Company, INC, New York in 1931. The second edition of Structure of Crystals, 1931, 234-236 |
| 5910014 | CIF | Os S2 | P a -3 | 5.64; 5.64; 5.64 90; 90; 90 | 179.406 | Wyckoff, R. W. G. Pages 234 & 238 from the second edition of Structure of Crystals by Wyckoff. Published by The Chemical Catalog Company, INC, New York in 1931. The second edition of Structure of Crystals, 1931, 234-238 |
| 9015736 | CIF | Os S2 | P a -3 | 5.64; 5.64; 5.64 90; 90; 90 | 179.406 | Oftedal, I. Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit Zeitschrift fur Physikalische Chemie, 1928, 135, 291-299 |
| 9008571 | CIF | N2 | P a -3 | 5.644; 5.644; 5.644 90; 90; 90 | 179.788 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Sample at T = 4.2 K Crystal Structures, 1963, 1, 7-83 |
| 9007683 | CIF | Ni S2 | P a -3 | 5.6765; 5.6765; 5.6765 90; 90; 90 | 182.912 | Nowack, E.; Schwarzenbach, D.; Hahn, T. Charge densities in CoS2 and NiS2 (pyrite structure) Note: multipole model, T = 135 K Acta Crystallographica, Section B, 1991, 47, 650-659 |
| 9008391 | CIF | Ni S2 | P a -3 | 5.6765; 5.6765; 5.6765 90; 90; 90 | 182.912 | Nowack, E.; Schwarzenbach, D.; Gonschorek, W.; Hahn, T. Deformationsdichten in CoS2 und NiS2 mit pyritstruktur Note: T = 145 K Zeitschrift fur Kristallographie, 1989, 186, 213-215 |
| 5910111 | CIF | P2 Pt | P a -3 | 5.68; 5.68; 5.68 90; 90; 90 | 183.25 | Wyckoff, R. W. G. Pages 234 & 238 from the second edition of Structure of Crystals by Wyckoff. Published by The Chemical Catalog Company, INC, New York in 1931. The second edition of Structure of Crystals, 1931, 234-238 |
| 4344315 | CIF | P2 Si | P a -3 | 5.681; 5.681; 5.681 90; 90; 90 | 183.347 | Chattopadhyay, T.K.; von Schnering, H.G. Electron density distribution in Si P2 with the pyrite structure Studies in Inorganic Chemistry, 1983, 3, 761-764 |
| 1542017 | CIF | P2 Si | P a -3 | 5.682; 5.682; 5.682 90; 90; 90 | 183.444 | Osugi, J.; Namikawa, R.; Tanaka, Y. Chemical reaction at high temperature and high pressure III. Reaction of silicon and phosphorus at high temperature and high pressure Reviews of Physical Chemistry of Japan, 1966, 36, 35-43 |
| 1544738 | CIF | Ni S2 | P a -3 | 5.6845; 5.6845; 5.6845 90; 90; 90 | 183.69 | Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y. Structural behaviour of NiS2 up to 54 kbar :Sample at 1 atm Mineralogical Journal, 1987, 13, 448-454 |
| 9008392 | CIF | Ni S2 | P a -3 | 5.6865; 5.6865; 5.6865 90; 90; 90 | 183.88 | Nowack, E.; Schwarzenbach, D.; Gonschorek, W.; Hahn, T. Deformationsdichten in CoS2 und NiS2 mit pyritstruktur Note: T = 295 K Zeitschrift fur Kristallographie, 1989, 186, 213-215 |
| 9012538 | CIF | Ni S2 | P a -3 | 5.6873; 5.6873; 5.6873 90; 90; 90 | 183.958 | Furuseth, S.; Kjekshus, A.; Andresen, A. F. On the magnetic properties of CoSe2, NiS2, and NiSe2 Acta Chemica Scandinavica, 1969, 23, 2325-2334 |
| 8104412 | CIF | P2 Si | P a -3 | 5.691; 5.691; 5.691 90; 90; 90 | 184.317 | Chattopadhyay, T.K.; von Schnering, H.G. Pyrite-type silicon diphosphide p-Si P2: Structural parameters and valence electron density distribution Zeitschrift fuer Kristallographie (149,1979-), 1984, 167, 1-12 |
| 1539188 | CIF | P2 Pt | P a -3 | 5.694; 5.694; 5.694 90; 90; 90 | 184.609 | Thomassen, L. Ueber Kristallstrukturen einiqer binaerer Verbindungen der Platinmetalle II Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 4, 277-287 |
| 9015002 | CIF | P2 Pt | P a -3 | 5.6956; 5.6956; 5.6956 90; 90; 90 | 184.764 | Furuseth, S.; Selte, K.; Kjekshus, A. On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2 Acta Chemica Scandinavica, 1967, 21, 527-536 |
| 9015563 | CIF | P2 Pt | P a -3 | 5.6956; 5.6956; 5.6956 90; 90; 90 | 184.764 | Furuseth, S.; Selte, K.; Kjekshus, A. Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2 Acta Chemica Scandinavica, 1965, 19, 735-741 |
| 9000163 | CIF | As1.23 Ni S0.77 | P a -3 | 5.7053; 5.7053; 5.7053 90; 90; 90 | 185.71 | Bayliss, P. The crystal structure of disordered gersdorffite American Mineralogist, 1968, 53, 290-293 |
| 1010059 | CIF | N2 O | P a -3 | 5.72; 5.72; 5.72 90; 90; 90 | 187.1 | de Smedt, J.; Keesom, W. H. The structure of solid nitrous oxide and carbon dioxide Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen, 1924, 27, 839-846 |
| 9006170 | CIF | Cu0.25 Fe0.75 S2 | P a -3 | 5.7249; 5.7249; 5.7249 90; 90; 90 | 187.631 | Schmid-Beurmann P; Lottermoser, W. 57Fe-Moessbauer spectra, electronic and crystal structure of members of the CuS2-FeS2 solid solution series Physics and Chemistry of Minerals, 1993, 19, 571-577 |
| 1538551 | CIF | D2 S | P a -3 | 5.739; 5.739; 5.739 90; 90; 90 | 189.02 | Sandor, E.; Ogunade, S.O. Structure and phase transition in solid hydrogen and deuterium sulphides Nature (London), 1969, 224, 905-907 |
| 9012502 | CIF | As2 Ni | P a -3 | 5.77; 5.77; 5.77 90; 90; 90 | 192.1 | Munson, R. A. The synthesis of iridium disulfide and nickel diarsenide having the pyrite structure Locality: synthetic Inorganic Chemistry, 1968, 7, 389-390 |
| 1535318 | CIF | As Pt0.4 Rh0.3 Ru0.3 S | P a -3 | 5.788; 5.788; 5.788 90; 90; 90 | 193.903 | Szymanski, J.T. The crystal structure of platarsite, Pt (As, S)2, and a comparison with sperrylite, Pt As2 Canadian Mineralogist, 1979, 17, 117-123 |
| 9004146 | CIF | As2 Ir0.05 Os0.01 Pt0.35 Rh0.31 Ru0.29 S2 | P a -3 | 5.788; 5.788; 5.788 90; 90; 90 | 193.903 | Szymanski, J. T. The crystal structure of platarsite, Pt(As,S)2, and a comparison with sperrylite, PtAs2 The Canadian Mineralogist, 1979, 17, 117-123 |
| 9017150 | CIF | As1.02 Ir0.05 Os0.01 Pt0.35 Rh0.31 Ru0.29 S0.98 | P a -3 | 5.788; 5.788; 5.788 90; 90; 90 | 193.903 | Szymanski, J. T. The crystal structure of platarsite, Pt(As,S)2, and a comparison with sperrylite, PtAs2 The Canadian Mineralogist, 1979, 17, 117-123 |
| 9000742 | CIF | Cu S2 | P a -3 | 5.7891; 5.7891; 5.7891 90; 90; 90 | 194.014 | King, H. E.; Prewitt, C. T. Structure and symmetry of CuS2 (pyrite structure) American Mineralogist, 1979, 64, 1265-1271 |
| 9012536 | CIF | Co Se2 | P a -3 | 5.8593; 5.8593; 5.8593 90; 90; 90 | 201.158 | Furuseth, S.; Kjekshus, A.; Andresen, A. F. On the magnetic properties of CoSe2, NiS2, and NiSe2 Acta Chemica Scandinavica, 1969, 23, 2325-2334 |
| 9012267 | CIF | Ni P0.24 Se1.76 | P a -3 | 5.901; 5.901; 5.901 90; 90; 90 | 205.483 | Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78 |
| 1539207 | CIF | Ru Se2 | P a -3 | 5.921; 5.921; 5.921 90; 90; 90 | 207.58 | Thomassen, L. Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 2, 349-379 |
| 5910034 | CIF | Os Se2 | P a -3 | 5.93; 5.93; 5.93 90; 90; 90 | 208.528 | Wyckoff, R. W. G. Pages 234 & 238 from the second edition of Structure of Crystals by Wyckoff. Published by The Chemical Catalog Company, INC, New York in 1931. The second edition of Structure of Crystals, 1931, 234-238 |
| 9007834 | CIF | Ru Se4 | P a -3 | 5.9336; 5.9336; 5.9336 90; 90; 90 | 208.908 | Lutz, H. D.; Muller, B.; Schmidt, T.; Stingl, T. Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2 Acta Crystallographica, Section C, 1990, 46, 2003-2005 |
| 9014395 | CIF | Ru Se2 | P a -3 | 5.9336; 5.9336; 5.9336 90; 90; 90 | 208.908 | Lutz, H. D.; Muller, B.; Schmidt, T.; Stingl, T. Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2 Acta Crystallographica, Section C, 1990, 46, 2003-2005 |
| 9012406 | CIF | Ru Se2 | P a -3 | 5.935; 5.935; 5.935 90; 90; 90 | 209.056 | Stassen, W. N.; Heyding, R. D. Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2 Canadian Journal of Chemistry, 1968, 46, 2159-2163 |
| 9012407 | CIF | Os Se2 | P a -3 | 5.946; 5.946; 5.946 90; 90; 90 | 210.22 | Stassen, W. N.; Heyding, R. D. Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2 Canadian Journal of Chemistry, 1968, 46, 2159-2163 |
| 5910039 | CIF | As2 Pt | P a -3 | 5.95; 5.95; 5.95 90; 90; 90 | 210.645 | Wyckoff, R. W. G. Page 238 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931 & http://database.iem.ac.ru/mincryst/ The second edition of Structure of Crystals, 1931, 238-238 |
| 5910121 | CIF | As2 Pt | P a -3 | 5.95; 5.95; 5.95 90; 90; 90 | 210.645 | Wyckoff, R. W. G. Pages 234 & 238 from the second edition of Structure of Crystals by Wyckoff. Published by The Chemical Catalog Company, INC, New York in 1931. The second edition of Structure of Crystals, 1931, 234-238 |
| 1537617 | CIF | Ni Se2 | P a -3 | 5.961; 5.961; 5.961 90; 90; 90 | 211.815 | Adachi, K.; Takeda, M.; Sato, K. Magnetic properties of cobalt and nickel dichalcogenide compounds with pyrite structure Journal of the Physical Society of Japan, 1969, 26, 631-638 |
| 9012537 | CIF | Ni Se2 | P a -3 | 5.9629; 5.9629; 5.9629 90; 90; 90 | 212.018 | Furuseth, S.; Kjekshus, A.; Andresen, A. F. On the magnetic properties of CoSe2, NiS2, and NiSe2 Acta Chemica Scandinavica, 1969, 23, 2325-2334 |
| 9012408 | CIF | As2 Pt | P a -3 | 5.9665; 5.9665; 5.9665 90; 90; 90 | 212.402 | Stassen, W. N.; Heyding, R. D. Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2 Canadian Journal of Chemistry, 1968, 46, 2159-2163 |
| 9016130 | CIF | As2 Pt | P a -3 | 5.9665; 5.9665; 5.9665 90; 90; 90 | 212.402 | Furuseth, S.; Selte, K.; Kjekshus, A. Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2 Acta Chemica Scandinavica, 1965, 19, 735-741 |
| 9016654 | CIF | As2 Pt | P a -3 | 5.9665; 5.9665; 5.9665 90; 90; 90 | 212.402 | Furuseth, S.; Selte, K.; Kjekshus, A. On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2 Acta Chemica Scandinavica, 1967, 21, 527-536 |
| 9012409 | CIF | As2 Pt | P a -3 | 5.968; 5.968; 5.968 90; 90; 90 | 212.562 | Stassen, W. N.; Heyding, R. D. Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2 Canadian Journal of Chemistry, 1968, 46, 2159-2163 |
| 9012346 | CIF | As2 Pd | P a -3 | 5.979; 5.979; 5.979 90; 90; 90 | 213.74 | Brese, N. E.; von Schnering, H. G. Bonding trends in pyrites and a reinvestigation of the structures of PdAs2, PdSb2, PtSb2 and PtBi2 Zeitschrift fur Anorganische und Allgemeine Chemie, 1994, 620, 393-404 |
| 1538722 | CIF | Rh Se2 | P a -3 | 5.982; 5.982; 5.982 90; 90; 90 | 214.062 | Kjekshus, A.; Rakke, T.; Andresen, A.F. Pyrite like phases in the Rh-Se System Acta Chemica Scandinavica, Series A: (28,1974-), 1979, 33, 719-725 |
| 1011348 | CIF | As2 Pd | P a -3 | 5.982; 5.982; 5.982 90; 90; 90 | 214.1 | Thomassen, L Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle II Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 4, 277-287 |
| 9014218 | CIF | As2 Pd | P a -3 | 5.9855; 5.9855; 5.9855 90; 90; 90 | 214.438 | Furuseth, S.; Selte, K.; Kjekshus, A. Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2 Acta Chemica Scandinavica, 1965, 19, 735-741 |
| 9014776 | CIF | As2 Pd | P a -3 | 5.9855; 5.9855; 5.9855 90; 90; 90 | 214.438 | Furuseth, S.; Selte, K.; Kjekshus, A. On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2 Acta Chemica Scandinavica, 1967, 21, 527-536 |
| 1535843 | CIF | As2 Si | P a -3 | 6.0232; 6.0232; 6.0232 90; 90; 90 | 218.515 | Donohue, P.C.; Siemons, W.J.; Gillson, J.L. Preparation and Properties of Pyrite - Type Si P2 and Si As2 Journal of Physics and Chemistry of Solids, 1968, 29, 807-813 |
| 8104043 | CIF | Mn S2 | P a -3 | 6.083; 6.083; 6.083 90; 90; 90 | 225.089 | Chattopadhyay, T.K.; von Schnering, H.G.; McIntyre, G.J.; Stansfield, R.F.D. X-ray and neutron diffraction study of the crystal structure of Mn S2 Zeitschrift fuer Kristallographie (149,1979-), 1992, 199, 13-24 |
| 2100840 | CIF Paper | C2 H2 | P a -3 | 6.094; 6.094; 6.094 90; 90; 90 | 226.31 | McMullan, R. K.; Kvick, Å.; Popelier, P. Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction Acta Crystallographica Section B, 1992, 48, 726-731 |
| 9008044 | CIF | Mn S2 | P a -3 | 6.097; 6.097; 6.097 90; 90; 90 | 226.646 | Offner, F. A redetermination of the parameter for hauerite, MnS2 Zeitschrift fur Kristallographie, 1934, 89, 182-184 |
| 2100842 | CIF Paper | C2 D2 | P a -3 | 6.102; 6.102; 6.102 90; 90; 90 | 227.2 | McMullan, R. K.; Kvick, Å.; Popelier, P. Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction Acta Crystallographica Section B, 1992, 48, 726-731 |
| 2100841 | CIF Paper | C2 H2 | P a -3 | 6.105; 6.105; 6.105 90; 90; 90 | 227.54 | McMullan, R. K.; Kvick, Å.; Popelier, P. Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction Acta Crystallographica Section B, 1992, 48, 726-731 |
| 1011237 | CIF | Mn S2 | P a -3 | 6.109; 6.109; 6.109 90; 90; 90 | 228 | Offner, F A redetermination of the parameter for Hauerite, Mn S2 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1934, 89, 182-184 |
| 9009854 | CIF | Cu Se2 | P a -3 | 6.116; 6.116; 6.116 90; 90; 90 | 228.772 | Heyding, R. D.; Murray, R. M. Crystal structures of Cu1.8Se, Cu3Se2, alpha- and gamma-CuSe, CuSe2, and CuSe2II Note: high-pressure polymorph, pyrite structure Canadian Journal of Chemistry, 1976, 54, 841-848 |
| 9013927 | CIF | Cl Cu | P a -3 | 6.3104; 6.3104; 6.3104 90; 90; 90 | 251.287 | Hull, S.; Keen, D. A. High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 9.24 GPa Note: known as CuCl-IV Physical Review B, 1994, 50, 5868-5885 |
| 1539209 | CIF | Ru Te2 | P a -3 | 6.36; 6.36; 6.36 90; 90; 90 | 257.259 | Thomassen, L. Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 2, 349-379 |
| 5910106 | CIF | Ru Te2 | P a -3 | 6.36; 6.36; 6.36 90; 90; 90 | 257.259 | Wyckoff, R. W. G. Pages 234 & 238 from the second edition of Structure of Crystals by Wyckoff. Published by The Chemical Catalog Company, INC, New York in 1931. The second edition of Structure of Crystals, 1931, 234-238 |
| 5910143 | CIF | Os Te2 | P a -3 | 6.36; 6.36; 6.36 90; 90; 90 | 257.259 | Wyckoff, R. W. G. Pages 234 & 238 from the second edition of Structure of Crystals by Wyckoff. Published by The Chemical Catalog Company, INC, New York in 1931. The second edition of Structure of Crystals, 1931, 234-238 |
| 1539184 | CIF | Os Te2 | P a -3 | 6.369; 6.369; 6.369 90; 90; 90 | 258.353 | Thomassen, L. Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 2, 349-379 |
| 9012341 | CIF | Ru Te2 | P a -3 | 6.391; 6.391; 6.391 90; 90; 90 | 261.04 | Lutz, H. D.; Jung, M.; Waschenbach, G. Kristallstrukturen des lollingits FeAs2 und des pyrits RuTe2 Zeitschrift fur Anorganische und Allgemeine Chemie, 1987, 554, 87-91 |
| 8104490 | CIF | Os Te2 | P a -3 | 6.397; 6.397; 6.397 90; 90; 90 | 261.776 | Stingl, T.; Mueller, B.; Lutz, H.D. Crystal structure refinement of osmium(II) ditelluride Zeitschrift fuer Kristallographie (149,1979-), 1992, 202, 163-164 |
| 1527512 | CIF | Ir3 Te8 | P a -3 | 6.414; 6.414; 6.414 90; 90; 90 | 263.868 | Hockings, E.F.; White, J.G. The system iridium-tellurium Journal of Physical Chemistry, 1960, 64, 1042-1045 |
| 9013926 | CIF | Cl Cu | P a -3 | 6.4162; 6.4162; 6.4162 90; 90; 90 | 264.14 | Hull, S.; Keen, D. A. High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 5.52 GPa Note: known as CuCl-IV Physical Review B, 1994, 50, 5868-5885 |
| 1010097 | CIF | Mn Se2 | P a -3 | 6.417; 6.417; 6.417 90; 90; 90 | 264.2 | Elliott, N The Crystal Structure of Manganese Diselenide and Manganese Ditelluride Journal of the American Chemical Society, 1937, 59, 1958-1962 |
| 5910023 | CIF | Pt Sb2 | P a -3 | 6.42; 6.42; 6.42 90; 90; 90 | 264.609 | Wyckoff, R. W. G. Page 238 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931 & http://database.iem.ac.ru/mincryst/ The second edition of Structure of Crystals, 1931, 238-238 |
| 5910112 | CIF | Pd Sb2 | P a -3 | 6.43; 6.43; 6.43 90; 90; 90 | 265.848 | Wyckoff, R. W. G. Pages 234 & 238 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931. The second edition of Structure of Crystals, 1931, 234-238 |
| 9015533 | CIF | Pt Sb2 | P a -3 | 6.44; 6.44; 6.44 90; 90; 90 | 267.09 | Furuseth, S.; Selte, K.; Kjekshus, A. On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2 Acta Chemica Scandinavica, 1967, 21, 527-536 |
| 9016376 | CIF | Pt Sb2 | P a -3 | 6.44; 6.44; 6.44 90; 90; 90 | 267.09 | Furuseth, S.; Selte, K.; Kjekshus, A. Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2 Acta Chemica Scandinavica, 1965, 19, 735-741 |
| 1539194 | CIF | Pt Sb2 | P a -3 | 6.441; 6.441; 6.441 90; 90; 90 | 267.214 | Thomassen, L. Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 2, 349-379 |
| 4124648 | CIF | Rh Te2 | P a -3 | 6.441; 6.441; 6.441 90; 90; 90 | 267.214 | Geller, S. The Crystal Structures of Rh Te and Rh Te2 Journal of the American Chemical Society, 1955, 77, 2641-2644 |
| 9012348 | CIF | Pt Sb2 | P a -3 | 6.4423; 6.4423; 6.4423 90; 90; 90 | 267.376 | Brese, N. E.; von Schnering, H. G. Bonding trends in pyrites and a reinvestigation of the structures of PdAs2, PdSb2, PtSb2 and PtBi2 Zeitschrift fur Anorganische und Allgemeine Chemie, 1994, 620, 393-404 |
| 9014423 | CIF | Pd Sb2 | P a -3 | 6.4584; 6.4584; 6.4584 90; 90; 90 | 269.386 | Furuseth, S.; Selte, K.; Kjekshus, A. On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2 Acta Chemica Scandinavica, 1967, 21, 527-536 |
| 9015863 | CIF | Pd Sb2 | P a -3 | 6.4584; 6.4584; 6.4584 90; 90; 90 | 269.386 | Furuseth, S.; Selte, K.; Kjekshus, A. Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2 Acta Chemica Scandinavica, 1965, 19, 735-741 |
| 9012347 | CIF | Pd Sb2 | P a -3 | 6.464; 6.464; 6.464 90; 90; 90 | 270.087 | Brese, N. E.; von Schnering, H. G. Bonding trends in pyrites and a reinvestigation of the structures of PdAs2, PdSb2, PtSb2 and PtBi2 Zeitschrift fur Anorganische und Allgemeine Chemie, 1994, 620, 393-404 |
| 1526496 | CIF | Ir Te2 | P a -3 | 6.5547; 6.5547; 6.5547 90; 90; 90 | 281.617 | Jobic, S.; Pasturel, A.; Brec, R.; Koo, H.-J.; Whangbo Myunghwan Theoretical study of possible iridium ditelluride phases attainable under high pressure Journal of Solid State Chemistry, 2001, 162, 63-68 |
| 9014753 | CIF | Ru S2 | P a -3 | 6.636; 6.636; 6.636 90; 90; 90 | 292.226 | Oftedal, I. Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit Zeitschrift fur Physikalische Chemie, 1928, 135, 291-299 |
| 9000052 | CIF | Au Sb2 | P a -3 | 6.649; 6.649; 6.649 90; 90; 90 | 293.947 | Graham, A. R.; Kaiman, S. Aurostibite, AuSb2; A new mineral in the pyrite group American Mineralogist, 1952, 37, 461-469 |
| 9014306 | CIF | Au Sb2 | P a -3 | 6.6583; 6.6583; 6.6583 90; 90; 90 | 295.182 | Furuseth, S.; Selte, K.; Kjekshus, A. Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2 Acta Chemica Scandinavica, 1965, 19, 735-741 |
| 9016730 | CIF | Au Sb2 | P a -3 | 6.6583; 6.6583; 6.6583 90; 90; 90 | 295.182 | Furuseth, S.; Selte, K.; Kjekshus, A. On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2 Acta Chemica Scandinavica, 1967, 21, 527-536 |
| 1510289 | CIF | Au Sb2 | P a -3 | 6.66; 6.66; 6.66 90; 90; 90 | 295.408 | Westgren, A.; Almin, A.; Nial, O. Roentgenanalyse der Systeme Au-Sb und Ag-Sn Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1931, 14, 81-90 |
| 9013934 | CIF | Br Cu | P a -3 | 6.6674; 6.6674; 6.6674 90; 90; 90 | 296.394 | Hull, S.; Keen, D. A. High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 7.29 GPa Note: known as CuBr-V Physical Review B, 1994, 50, 5868-5885 |
| 9012882 | CIF | Bi2 Pt | P a -3 | 6.683; 6.683; 6.683 90; 90; 90 | 298.479 | Wallbaum, H. J. Die kristallstrukturen von Bi2Pt und Sn2Pt Zeitschrift fur Metallkunde, 1943, 35, 200-201 |
| 9010030 | CIF | Bi1.3 Pd0.27 Pt0.73 Sb0.07 Te0.63 | P a -3 | 6.687; 6.687; 6.687 90; 90; 90 | 299.016 | Bayliss, P. Crystal chemistry and crystallography of some minerals within the pyrite group American Mineralogist, 1989, 74, 1168-1176 |
| 9012345 | CIF | Bi2 Pt | P a -3 | 6.7014; 6.7014; 6.7014 90; 90; 90 | 300.952 | Brese, N. E.; von Schnering, H. G. Bonding trends in pyrites and a reinvestigation of the structures of PdAs2, PdSb2, PtSb2 and PtBi2 Zeitschrift fur Anorganische und Allgemeine Chemie, 1994, 620, 393-404 |
| 9014032 | CIF | Bi2 Pt | P a -3 | 6.7022; 6.7022; 6.7022 90; 90; 90 | 301.059 | Furuseth, S.; Selte, K.; Kjekshus, A. Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2 Acta Chemica Scandinavica, 1965, 19, 735-741 |
| 9013933 | CIF | Br Cu | P a -3 | 6.7378; 6.7378; 6.7378 90; 90; 90 | 305.882 | Hull, S.; Keen, D. A. High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 5.08 GPa Note: known as CuBr-V Physical Review B, 1994, 50, 5868-5885 |
| 1010071 | CIF | O2 | P a -3 | 6.83; 6.83; 6.83 90; 90; 90 | 318.6 | Keesom, W. H.; Taconis, K. W. On the crystal structure of solid oxygen-γ Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen, 1936, 39, 149-149 |
| 9014758 | CIF | Mn Te2 | P a -3 | 6.943; 6.943; 6.943 90; 90; 90 | 334.689 | Oftedal, I. Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit Zeitschrift fur Physikalische Chemie, 1928, 135, 291-299 |
| 1011352 | CIF | Mn Te2 | P a -3 | 6.943; 6.943; 6.943 90; 90; 90 | 334.7 | Elliott, N The crystal structure of manganese diselenide and manganese ditelluride Journal of the American Chemical Society, 1937, 59, 1958-1962 |
| 4031808 | CIF | Mg Te2 | P a -3 | 7.025; 7.025; 7.025 90; 90; 90 | 346.688 | Yanagisawa, S.; Tashiro, M.; Anzai, S. Crystal Structure of Magnesium Ditelluride Journal of Inorganic and Nuclear Chemistry, 1969, 31, 943-946 |
| 1542186 | CIF | N2 Ni O6 | P a -3 | 7.31; 7.31; 7.31 90; 90; 90 | 390.618 | Weigel, D.; Imelik, B.; Laffitte, P. Etude des structures des nitrates de nickel Bulletin de la Societe Chimique de France (Vol=Year), 1962, 1962, 544-549 |
| 5910160 | CIF | O7 P2 Si | P a -3 | 7.46; 7.46; 7.46 90; 90; 90 | 415.161 | Wyckoff, R. W. G. Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 429-431 |
| 1530879 | CIF | O7 P2 Si | P a -3 | 7.473; 7.473; 7.473 90; 90; 90 | 417.335 | Tillmanns, E.; Baur, W.H.; Gebert, W. Computer Simulation of Crystal Structures applied to the Solution of the Superstructure of Cubic Silicon-diphosphate Journal of Solid State Chemistry, 1973, 7, 69-84 |
| 5910253 | CIF | Ge O7 P2 | P a -3 | 7.52; 7.52; 7.52 90; 90; 90 | 425.259 | Wyckoff, R. W. G. Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 429-431 |
| 1535454 | CIF | Mn N2 O6 | P a -3 | 7.527; 7.527; 7.527 90; 90; 90 | 426.448 | Tikhomirov, G.A.; Kemnitz, E.; Znamenkov, K.O.; Morozov, I.V.; Troyanov, S.I. Anhydrous nitrates and nitrosonium nitratometallates of manganese and cobalt, M (N O3)2, N O (Mn (N O3)3), and (N O)2 (Co (N O3)4): synthesis and crystal structure Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 269-273 |
| 5910045 | CIF | Ca N2 O6 | P a -3 | 7.6; 7.6; 7.6 90; 90; 90 | 438.976 | Wyckoff, R. W. G. Crystal structure of calcium nitrate Crystals structures, Vol. II, 1951 |
| 1534281 | CIF | F6 K P | P a -3 | 7.71; 7.71; 7.71 90; 90; 90 | 458.314 | Bode, H.; Clausen, H. Die Kristallstruktur des Kalium-, Ammonium- und Caesiumhexafluorophosphats Zeitschrift fuer Anorganische und Allgemeine Chemie, 1951, 265, 228-243 |
| 9011344 | CIF | N2 O6 Sr | P a -3 | 7.7813; 7.7813; 7.7813 90; 90; 90 | 471.147 | Nowotny, H.; Heger, G. Structure refinement of strontium nitrate, Sr(NO3)2, and barium nitrate, Ba(NO3)2 Locality: synthetic Acta Crystallographica, Section C, 1983, 39, 952-956 |
| 5910116 | CIF | N2 O6 Sr | P a -3 | 7.81; 7.81; 7.81 90; 90; 90 | 476.38 | Wyckoff, R. W. G. Crystal structure of strontium nitrate Crystals structures, Vol. II, 1951 |
| 2007667 | CIF HKL Paper | N2 O6 Sr | P a -3 | 7.822; 7.822; 7.822 90; 90; 90 | 478.58 | El-Bali, Brahim; Bolte, Michael Sr(NO~3~)~2~ at 173K Acta Crystallographica Section C, 1998, 54, IUC9800046 |
| 5910007 | CIF | N2 O6 Pb | P a -3 | 7.84; 7.84; 7.84 90; 90; 90 | 481.89 | Wyckoff, R. W. G. Crystal structure of lead(II) nitrate Crystals structures, Vol. II, 1951 |
| 2020897 | CIF | N2 O6 Pb | P a -3 | 7.8586; 7.8586; 7.8586 90; 90; 90 | 485.33 | Nowotny, H.; Heger, G. Structure refinement of lead nitrate Acta Crystallographica, Section C: Crystal Structure Communications, 1986, 42, 133-135 |
| 2215685 | CIF HKL Paper | Cl2 H6 N2 | P a -3 | 7.8731; 7.8731; 7.8731 90; 90; 90 | 488.02 | Kruszynski, Rafal; Trzesowska, Agata Redetermination of hydrogenhydrazinium dichloride Acta Crystallographica Section E, 2007, 63, i179-i179 |
| 5910164 | CIF | O7 P2 Sn | P a -3 | 7.89; 7.89; 7.89 90; 90; 90 | 491.169 | Wyckoff, R. W. G. Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 429-431 |
| 1010601 | CIF | Cl2 H6 N2 | P a -3 | 7.89; 7.89; 7.89 90; 90; 90 | 491.2 | Wyckoff, R W G The Crystal Structure of Hydrazine Dihydrochloride American Journal of Science, Serie 5(1,1921-1938), 1923, 5, 15-22 |
| 2002559 | CIF | Al1.5 O5 Sc0.5 Sr2 | P a -3 | 7.9078; 7.9078; 7.9078 90; 90; 90 | 494.5 | Rath, M; Mueller-Buschbaum, Hk Ein Beitrag zur Kristallstruktur von Ba2 Sc Al O5 und Sr2 Sc0.5 Al1.5 O5 Journal of Alloys Compd., 1992, 189, 127-130 |
| 1542110 | CIF | F6 P Tl | P a -3 | 7.94; 7.94; 7.94 90; 90; 90 | 500.566 | Bode, H.; Teufer, G. Die Kristallstruktur des Thalliumhexafluorophosphates Zeitschrift fuer Anorganische und Allgemeine Chemie, 1952, 268, 129-132 |
| 1001387 | CIF | Mo O7 P2 | P a -3 | 7.944; 7.944; 7.944 90; 90; 90 | 501.3 | Leclaire, A; Borel, M M; Grandin, A; Raveau, B Structure of molybdenum (IV) diphosphate Mo P~2~ O~7~ European Journal of Solid State Inorganic Chemistry, 1988, 25, 323-327 |
| 1521523 | CIF | O7 P2 W | P a -3 | 7.9502; 7.9502; 7.9502 90; 90; 90 | 502.498 | Lisnyak, V.V.; Stus', N.V.; Belyavina, N.M.; Slobodyanik, N.S.; Markiv, V.Ya. Crystal structure of a novel cubic pyrophosphate W P2 O7 Journal of Alloys Compd., 2000, 309, 83-87 |
| 4337005 | CIF | O6 Sb0.5 Se2 V0.5 | P a -3 | 8.0301; 8.0301; 8.0301 90; 90; 90 | 517.8 | Yiseul Shin; Dong Woo Lee; Kwang Yong Choi; Hyun-Joo Koo; Kang Min Ok VSb(SeO3)4, First Selenite Containing V3+ Cation: Synthesis, Structure, Characterization, Magnetic Properties, and Calculations Inorganic Chemistry, 2013, 52, 14224-14230 |
| 1517733 | CIF | Nb O7 P1.81 | P a -3 | 8.0705; 8.0705; 8.0705 90; 90; 90 | 525.66 | Fukuoka, H.; Imoto, H.; Saito, T. Preparation of cubic niobium pyrophosphate containing Nb(IV) and topotactic extraction of phosphorus atoms Journal of Solid State Chemistry, 1995, 119, 98-106 |
| 1517732 | CIF | Nb O7 P1.92 | P a -3 | 8.0807; 8.0807; 8.0807 90; 90; 90 | 527.65 | Fukuoka, H.; Imoto, H.; Saito, T. Preparation of cubic niobium pyrophosphate containing Nb(IV) and topotactic extraction of phosphorus atoms Journal of Solid State Chemistry, 1995, 119, 98-106 |
| 1517731 | CIF | Nb O7 P2.02 | P a -3 | 8.083; 8.083; 8.083 90; 90; 90 | 528.1 | Fukuoka, H.; Imoto, H.; Saito, T. Preparation of cubic niobium pyrophosphate containing Nb(IV) and topotactic extraction of phosphorus atoms Journal of Solid State Chemistry, 1995, 119, 98-106 |
| 1517734 | CIF | Nb O7 P1.8 | P a -3 | 8.0896; 8.0896; 8.0896 90; 90; 90 | 529.4 | Fukuoka, H.; Imoto, H.; Saito, T. Preparation of cubic niobium pyrophosphate containing Nb(IV) and topotactic extraction of phosphorus atoms Journal of Solid State Chemistry, 1995, 119, 98-106 |
| 1011068 | CIF | Al F6 K2 Na | P a -3 | 8.09; 8.09; 8.09 90; 90; 90 | 529.5 | Menzer, G Ueber die Kristallstrukturen der Kryolithgruppe Fortschritte der Mineralogie, 1932, 17, 61-61 |
| 1000328 | CIF | O7 P1.901 Ta0.899 | P a -3 | 8.109; 8.109; 8.109 90; 90; 90 | 533.2 | Oyetola, S; Verbaere, A; Guyomard, D; Crosnier, M P; Piffard, Y; Tournoux, M New ZrP~2~O~7~-like diphosphates of either mixed (M^III^~1/2~M'^V^~1/2~) cations (M=Sb,Bi,Nd,Eu;M'=Sb, Nb,Ta) or M'^V^ cations (M'=Ta,Nb):synthesis and structure European Journal of Solid State Inorganic Chemistry, 1991, 28, 23-36 |
| 5910065 | CIF | Ba N2 O6 | P a -3 | 8.11; 8.11; 8.11 90; 90; 90 | 533.41 | Wyckoff, R. W. G. Crystal structure of barium nitrate Crystals structures, Vol. II, 1951 |
| 1532289 | CIF | Ba N2 O6 | P a -3 | 8.11021; 8.11021; 8.11021 90; 90; 90 | 533.453 | Trounov, V.A.; Tserkovnaya, E.A.; Gurin, V.N.; Korsukova, M.M.; Derkachenko, L.I.; Nikanorov, S.P. Effect of centrifugation on the crystal structure of barium nitrate Pis'ma v Zhurnal Tekhnicheskoi Fiziki, 2002, 28, 89-94 |
| 9011343 | CIF | Ba N2 O6 | P a -3 | 8.1184; 8.1184; 8.1184 90; 90; 90 | 535.071 | Nowotny, H.; Heger, G. Structure refinement of strontium nitrate, Sr(NO3)2, and barium nitrate, Ba(NO3)2 Locality: synthetic Acta Crystallographica, Section C, 1983, 39, 952-956 |
| 2105369 | CIF | Ag4 N2 O6 Te | P a -3 | 8.173; 8.173; 8.173 90; 90; 90 | 545.939 | Schultze-Rhonhof, E. Die Kristallstruktur von alpha-Tetrasilbertelluriddinitrat Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2837-2840 |
| 1010154 | CIF | F6 Na Sb | P a -3 | 8.18; 8.18; 8.18 90; 90; 90 | 547.3 | Schrewelius, N Roentgenuntersuchung der Verbindungen Na Sb (O H)~6~, Na Sb F~6~, Na Sb O~3~ und gleichartiger Stoffe Zeitschrift fuer Anorganische und Allgemeine Chemie, 1938, 238, 241-254 |
| 5910283 | CIF | Hf O7 P2 | P a -3 | 8.18; 8.18; 8.18 90; 90; 90 | 547.343 | Wyckoff, R. W. G. Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 429-431 |
| 1010464 | CIF | O7 P2 Zr | P a -3 | 8.2; 8.2; 8.2 90; 90; 90 | 551.4 | Levi, G R; Peyronel, G Struttura Cristallographica del Gruppo Isomorpho (Si,Ti,Zr,Sn,Hf) P~2~ O~7~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1935, 92, 190-209 |
| 8104446 | CIF | O7 P2 Zr | P a -3 | 8.23; 8.23; 8.23 90; 90; 90 | 557.442 | Levi, G.R.; Peyronel, G. Struttura cristallographica del gruppo isomorpho (Si, Ti, Zr, Sn, Hf) P2 O7 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1935, 92, 190-209 |
| 1527472 | CIF | O7 P2 Zr | P a -3 | 8.2474; 8.2474; 8.2474 90; 90; 90 | 560.985 | Hagman, L.O.; Kierkegaard, P. Note on the structures of M(IV) P2 O 7 ( M(IV) = Ge, Zr, and U ) Acta Chemica Scandinavica (1-27,1973-42,1988), 1969, 23, 327-328 |
| 1001133 | CIF | Ba2 Fe1.333 O6 U0.667 | P a -3 | 8.25; 8.25; 8.25 90; 90; 90 | 561.5 | Padel, L; Poix, P; Michel, A Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ - Ba~2~ Fe~1.333~ U.~667~ O~6~ Revue de Chimie Minerale, 1972, 9, 337-350 |
| 1541987 | CIF | O7 P2 Sn | P a -3 | 8.25; 8.25; 8.25 90; 90; 90 | 561.516 | Huang, C.H.; Knop, O.; Othen, D.A.; Woodhams, F.W.D.; Howie, R.A. Pyrophosphates of tetravalent elements and a Moessbauer study of Sn P2 O7 Canadian Journal of Chemistry, 1975, 53, 79-91 |
| 1000327 | CIF | Bi0.5 O7 P2 Ta0.5 | P a -3 | 8.253; 8.253; 8.253 90; 90; 90 | 562.1 | Oyetola, S; Verbaere, A; Guyomard, D; Crosnier, M P; Piffard, Y; Tournoux, M New ZrP~2~O~7~-like diphosphates of either mixed (M^III^~1/2~M'^V^~1/2~) cations (M=Sb,Bi,Nd,Eu;M'=Sb, Nb,Ta) or M'^V^ cations (M'=Ta,Nb):synthesis and structure European Journal of Solid State Inorganic Chemistry, 1991, 28, 23-36 |
| 1541949 | CIF | Ba8 Fe5.064 In0.268 O24 U2.668 | P a -3 | 8.269; 8.269; 8.269 90; 90; 90 | 565.404 | Berthon, J.; Grenet, J.C.; Poix, P. Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent Annales de Chimie (Paris), 1979, 4, 609-621 |
| 1541812 | CIF | Ba8 Fe4.8 In0.532 O24 U2.668 | P a -3 | 8.285; 8.285; 8.285 90; 90; 90 | 568.693 | Berthon, J.; Poix, P.; Grenet, J.C. Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent Annales de Chimie (Paris), 1979, 4, 609-621 |
| 1001095 | CIF | Ba2 Cr O6 U | P a -3 | 8.301; 8.301; 8.301 90; 90; 90 | 572 | Grenet, J V; Michel, A Etude cristallographique des composes Ba~2~ Fe U O~6~ et Ba~2~ Cr U O~6~ Annales de Chimie (Paris) (Vol=Year), 1971, 1971, 83-88 |
| 1541813 | CIF | Ba8 Fe4.268 In1.064 O24 U2.668 | P a -3 | 8.307; 8.307; 8.307 90; 90; 90 | 573.235 | Berthon, J.; Grenet, J.C.; Poix, P. Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent Annales de Chimie (Paris), 1979, 4, 609-621 |
| 1541950 | CIF | Ba8 Fe4 In1.332 O24 U2.668 | P a -3 | 8.319; 8.319; 8.319 90; 90; 90 | 575.723 | Berthon, J.; Grenet, J.C.; Poix, P. Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent Annales de Chimie (Paris), 1979, 4, 609-621 |
| 1001134 | CIF | Ba2 Fe0.667 Mg0.5 O6 U0.833 | P a -3 | 8.328; 8.328; 8.328 90; 90; 90 | 577.6 | Padel, L; Poix, P; Michel, A Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ - Ba~2~ Fe~1.333~ U.~667~ O~6~ Revue de Chimie Minerale, 1972, 9, 337-350 |
| 5910342 | CIF | Ce O7 P2 | P a -3 | 8.338; 8.338; 8.338 90; 90; 90 | 579.676 | Wyckoff, R. W. G. Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 429-431 |
| 7701237 | CIF | Eu P2 Pt6 | P a -3 | 8.46032; 8.46032; 8.46032 90; 90; 90 | 605.564 | Plokhikh, Igor V.; Khan, Nazir; Tsirlin, Alexander A.; Kuznetsov, Alexey N.; Charkin, Dmitri O.; Shevelkov, Andrei V.; Pfitzner, Arno Synthesis, crystal and electronic structures of Pt-rich phosphides EuPt<sub>3</sub>P and EuPt<sub>6</sub>P<sub>2</sub>. Dalton transactions (Cambridge, England : 2003), 2019, 48, 15272-15282 |
| 4342058 | CIF | P2 Pt6 Sr | P a -3 | 8.474; 8.474; 8.474 90; 90; 90 | 608.51 | Lv, Bing; Jawdat, BenMaan I; Wu, Zheng; Sorolla, 2nd, Maurice; Gooch, Melissa; Zhao, Kui; Deng, Liangzi; Xue, Yu-Yi; Lorenz, Bernd; Guloy, Arnold M.; Chu, Ching-Wu Synthesis, Structure, and Superconductivity in the New-Structure-Type Compound: SrPt6P2. Inorganic chemistry, 2015, 54, 1049-1054 |
| 5910294 | CIF | O7 P2 Pu | P a -3 | 8.56; 8.56; 8.56 90; 90; 90 | 627.222 | Wyckoff, R. W. G. Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 429-431 |
| 1010502 | CIF | O7 P2 U | P a -3 | 8.61; 8.61; 8.61 90; 90; 90 | 638.3 | Peyronel, G Struttura del Pirofosfato di Uranio: U P~2~ O~7~. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1936, 94, 311-312 |
| 9007739 | CIF | Al F6 H6 K O2 | P a -3 | 8.6464; 8.6464; 8.6464 90; 90; 90 | 646.407 | Frenzen, G.; Massa, W. Kalium-dioxonium-hexafluoroaluminat Acta Crystallographica, Section C, 1990, 46, 190-192 |
| 1000299 | CIF | Al F6 H6 K O2 | P a -3 | 8.6472; 8.6472; 8.6472 90; 90; 90 | 646.6 | Rousseau, J J; Boulard, B; Duroy, H; Fourquet, J L K(H~3~O)~2~AlF~6~: ESR, infrared and Raman spectroscopy studies European Journal of Solid State Inorganic Chemistry, 1990, 27, 913-924 |
| 5910269 | CIF | O7 P2 Th | P a -3 | 8.721; 8.721; 8.721 90; 90; 90 | 663.283 | Wyckoff, R. W. G. Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 429-431 |
| 1522060 | CIF | Hf O7 V2 | P a -3 | 8.753; 8.753; 8.753 90; 90; 90 | 670.611 | Turquat, C.; Muller, C.; Nigrelli, E.; Leroux, C.; Soubeyroux, J.L.; Nihoul, G. Structural investigation of temperature-induced phase transitions in Hf V2 O7 The European Physical Journal Apllied Physics, 2000, 10, 15-27 |
| 4338195 | CIF | Cs O6 Se2 Y | P a -3 | 8.8114; 8.8114; 8.8114 90; 90; 90 | 684.12 | Bang, Seong-Eun; Lee, Dong Woo; Ok, Kang Min Variable Framework Structures and Centricities in Alkali Metal Yttrium Selenites, AY(SeO3)2 (A = Na, K, Rb, and Cs). Inorganic chemistry, 2014, 53, 4756-4762 |
| 4326250 | CIF | Mo0.5 O7.25 V1.5 Zr | P a -3 | 8.8895; 8.8895; 8.8895 90; 90; 90 | 702.48 | Prangya Parimita Sahoo; S. Sumithra; Giridhar Madras; T. N. Guru Row Synthesis, Structure, Negative Thermal Expansion, and Photocatalytic Property of Mo Doped ZrV2O7 Inorganic Chemistry, 2011, 50, 8774-8781 |
| 4326251 | CIF | Mo0.5 O7.25 V1.5 Zr | P a -3 | 8.8969; 8.8969; 8.8969 90; 90; 90 | 704.23 | Prangya Parimita Sahoo; S. Sumithra; Giridhar Madras; T. N. Guru Row Synthesis, Structure, Negative Thermal Expansion, and Photocatalytic Property of Mo Doped ZrV2O7 Inorganic Chemistry, 2011, 50, 8774-8781 |
| 4326252 | CIF | Mo0.5 O7.25 V1.5 Zr | P a -3 | 8.9004; 8.9004; 8.9004 90; 90; 90 | 705.06 | Prangya Parimita Sahoo; S. Sumithra; Giridhar Madras; T. N. Guru Row Synthesis, Structure, Negative Thermal Expansion, and Photocatalytic Property of Mo Doped ZrV2O7 Inorganic Chemistry, 2011, 50, 8774-8781 |
| 7209417 | CIF | Au3 Na Si | P a -3 | 8.916; 8.916; 8.916 90; 90; 90 | 708.778 | Schuster, H.U.; Doering, W. Darstellung und Struktur von Na Au3 Si und Na Au3 Ge Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986), 1980, 35, 1482-1483 |
| 2105408 | CIF | B2 Ca O4 | P a -3 | 9.008; 9.008; 9.008 90; 90; 90 | 730.946 | Marezio, M.; Dernier, P.D.; Remeika, J.P. The crystal structure of the high pressure phase, Ca B2 O4 (IV), and polymorphism in Ca B2 O4 Acta Crystallographica B (24,1968-38,1982), 1969, 25, 965-970 |
| 7209414 | CIF | Au3 Ge Na | P a -3 | 9.021; 9.021; 9.021 90; 90; 90 | 734.115 | Doering, W.; Schuster, H.U. Darstellung und Struktur von Na Au3 Si und Na Au3 Ge Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986), 1980, 35, 1482-1483 |
| 8104271 | CIF | F6 Ga H12 N3 | P a -3 | 9.0409; 9.0409; 9.0409 90; 90; 90 | 738.984 | Schwarzmann, S. Ueber die Kristallstruktur von Ammoniumgalliumhexafluorid Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1964, 120, 286-316 |
| 4304962 | CIF | Au3 Ca Ga | P a -3 | 9.0882; 9.0882; 9.0882 90; 90; 90 | 750.64 | Qisheng Lin; John D. Corbett Interpenetrating Networks of Three-Dimensional Penrose Tiles in CaAu3Ga, the Structurally Simplest Cubic Approximant of an Icosahedral Quasicrystal Inorganic Chemistry, 2008, 47, 3462-3464 |
| 4304964 | CIF | Au3.13 Ca Ga0.87 | P a -3 | 9.1022; 9.1022; 9.1022 90; 90; 90 | 754.12 | Qisheng Lin; John D. Corbett Interpenetrating Networks of Three-Dimensional Penrose Tiles in CaAu3Ga, the Structurally Simplest Cubic Approximant of an Icosahedral Quasicrystal Inorganic Chemistry, 2008, 47, 3462-3464 |
| 4304963 | CIF | Au3.11 Ca Ga0.89 | P a -3 | 9.1107; 9.1107; 9.1107 90; 90; 90 | 756.23 | Qisheng Lin; John D. Corbett Interpenetrating Networks of Three-Dimensional Penrose Tiles in CaAu3Ga, the Structurally Simplest Cubic Approximant of an Icosahedral Quasicrystal Inorganic Chemistry, 2008, 47, 3462-3464 |
| 2017322 | CIF Paper | O7.9 V0.2 W1.8 Zr | P a -3 | 9.11787; 9.11787; 9.11787 90; 90; 90 | 758.019 | Chen, Xi; Tao, Juzhou; Ma, Hui; Zhao, Xinhua Disordered structure of ZrW~1.8~V~0.2~O~7.9~ from a combined X-ray and neutron powder diffraction study at 530 K Acta Crystallographica Section C, 2009, 65, i74-i76 |
| 1526521 | CIF | Mo1.023 O8 W0.977 Zr | P a -3 | 9.14; 9.14; 9.14 90; 90; 90 | 763.552 | Kameswari, U.; Sleight, A.W.; Evans, J.S.O. Rapid synthesis of Zr W2 O8 and related phases, and structure refinement of Zr W Mo O8 International Journal of Inorganic Materials, 2000, 2, 333-337 |
| 1510797 | CIF | B2 O4 Sr | P a -3 | 9.2123; 9.2123; 9.2123 90; 90; 90 | 781.815 | Angel, R.J.; Ross, N.L. Crystal structure of high pressure SrB2O4(IV) Journal of Solid State Chemistry, 1991, 90, 27-30 |
| 2015402 | CIF HKL Paper | As F12 I | P a -3 | 9.409; 9.409; 9.409 90; 90; 90 | 833 | Evgeny Goreshnik; Zoran Mazej Hexafluoroiodium(VII) hexafluoroarsenate Acta Crystallographica Section C, 2006, 62, i59-i60 |
| 1505734 | CIF | C12 H12 Cr | P a -3 | 9.5714; 9.5714; 9.5714 90; 90; 90 | 876.85 | Lyssenko, Konstantin A.; Korlyukov, Alexander A.; Golovanov, Denis G.; Ketkov, Sergey Yu; Antipin, Mikhail Yu Estimation of the barrier to rotation of benzene in the (eta 6-C6H6)2Cr crystal via topological analysis of the electron density distribution function. The journal of physical chemistry. A, 2006, 110, 6545-6551 |
| 4306523 | CIF | B12 H12 Li2 | P a -3 | 9.57713; 9.57713; 9.57713 90; 90; 90 | 878.43 | Jae-Hyuk Her; Muhammed Yousufuddin; Wei Zhou; Satish S. Jalisatgi; James G. Kulleck; Jason A. Zan; Son-Jong Hwang; Robert C. Bowman; Terrence J. Udovic Crystal Structure of Li2B12H12: a Possible Intermediate Species in the Decomposition of LiBH4 Inorganic Chemistry, 2008, 47, 9757-9759 |
| 8100889 | CIF | Li7 N4 V | P a -3 | 9.599; 9.599; 9.599 90; 90; 90 | 884.5 | Niewa, Rainer; Kniep, Rüdiger Redetermination of the crystal structure of heptalithium tetranitridovanadate(V), Li~7~[VN~4~] Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 5-6 |
| 1505078 | CIF | C H11 B10 P | P a -3 | 9.7418; 9.7418; 9.7418 90; 90; 90 | 924.5 | Balaz, Snjezana; Caruso, A. N.; Platt, N. P.; Dimov, D. I.; Boag, N. M.; Brand, J. I.; Losovyj, Ya B.; Dowben, P. A. The influence of the molecular dipole on the electronic structure of isomeric icosahedral dicarbadodecaborane and phosphacarbadodecaborane molecular films. The journal of physical chemistry. B, 2007, 111, 7009-7016 |
| 1527404 | CIF | Cu3 O6 W | P a -3 | 9.797; 9.797; 9.797 90; 90; 90 | 940.328 | Gebert, E.; Kihlborg, L. The crystal structure of a new copper wolfram oxide, Cu3 W O6 Acta Chemica Scandinavica (1-27,1973-42,1988), 1969, 23, 221-231 |
| 4113398 | CIF | C4 H6 Au F6 N2 P | P a -3 | 9.8097; 9.8097; 9.8097 90; 90; 90 | 943.99 | Rochelle L. White-Morris; Marilyn M. Olmstead; Alan L. Balch Aurophilic Interactions in Cationic Gold Complexes with Two Isocyanide Ligands. Polymorphic Yellow and Colorless Forms of [(Cyclohexyl Isocyanide)2AuI](PF6) with Distinct Luminescence Journal of the American Chemical Society, 2003, 125, 1033-1040 |
| 1005005 | CIF | Li7 N4 Nb | P a -3 | 9.829; 9.829; 9.829 90; 90; 90 | 949.6 | Vennos, D A; DiSalvo, F J Structure of lithium niobium nitride Acta Crystallographica C (39,1983-), 1992, 48, 610-612 |
| 2000944 | CIF Paper | Li7 N4 Nb | P a -3 | 9.829; 9.829; 9.829 90; 90; 90 | 949.6 | Vennos, D. A.; DiSalvo, F. J. Structure of lithium niobium nitride Acta Crystallographica Section C, 1992, 48, 610-612 |
| 1000342 | CIF | Ba F5.5 H1.5 Nb O1.5 | P a -3 | 9.9259; 9.9259; 9.9259 90; 90; 90 | 977.9 | Crosnier-Lopez, M P; Duroy, H; Fourquet, J L BaNbF~7-x~(OH)~x~: preparation and crystal structure European Journal of Solid State Inorganic Chemistry, 1993, 30, 549-556 |
| 1526711 | CIF | Al F6 H18 N6 Ru | P a -3 | 9.9872; 9.9872; 9.9872 90; 90; 90 | 996.165 | Subramanian, M.A.; Harlow, R.H.; Rao, V.N.M. New (Ru (N H3)6) M F6 phases: precursors to catalysts for halogenation reactions Materials Research Bulletin, 2000, 35, 1587-1592 |
| 2107239 | CIF | Cr F6 H18 Mn N6 | P a -3 | 10.059; 10.059; 10.059 90; 90; 90 | 1017.8 | Wieghardt, K.; Weiss, J. Die Kristallstrukturen von Hexamminchrom(III) Hexafluoromanganat(III) und Hexamminchrom(III) Hexafluoroferrat(III) Acta Crystallographica B (24,1968-38,1982), 1972, 28, 529-534 |
| 2107240 | CIF | Cr F6 Fe H18 N6 | P a -3 | 10.079; 10.079; 10.079 90; 90; 90 | 1023.89 | Wieghardt, K.; Weiss, J. Die Kristallstrukturen von Hexamminchrom(III) Hexafluoromanganat(III) und Hexamminchrom(III) Hexafluoroferrat(III) Acta Crystallographica B (24,1968-38,1982), 1972, 28, 529-534 |
| 4303520 | CIF | C4 H6 As F6 I N2 | P a -3 | 10.1087; 10.1087; 10.1087 90; 90; 90 | 1032.97 | Margaret-Jane Crawford; Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Jan M. Welch Does [I3]+ Act as an "[I]+" Donor to CH3CN and N2O? Structure of [H3CCN-I-NCCH3]+[AsF6]- Inorganic Chemistry, 2009, 48, 9983-9985 |
| 1536422 | CIF | Ba N4 P2 | P a -3 | 10.22992; 10.22992; 10.22992 90; 90; 90 | 1070.57 | Karau, F.W.; Schnick, W. High-pressure synthesis, x-ray powder structure determination, and solid-state NMR investigation of Ba P2 N4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2006, 632, 231-237 |
| 2000244 | CIF Paper | Br2 H12 Ni O12 | P a -3 | 10.2987; 10.2987; 10.2987 90; 90; 90 | 1092.31 | Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E. Structure of hexaaquanickel(II) bromate Acta Crystallographica Section C, 1991, 47, 1786-1789 |
| 1010024 | CIF | Br2 H12 O12 Zn | P a -3 | 10.316; 10.316; 10.316 90; 90; 90 | 1097.8 | Yue, S H; Beevers, C A The crystal structure of zinc bromate hexahydrate Zn (Br O~3~)~2~ (H~2~ O)~6~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1936, 95, 426-434 |
| 9007743 | CIF | Cl2 H12 Ni O12 | P a -3 | 10.3159; 10.3159; 10.3159 90; 90; 90 | 1097.8 | Gallucci, J. C.; Gerkin, R. E. The structure of hexaaquanickel(II) chlorate Acta Crystallographica, Section C, 1990, 46, 350-354 |
| 5910099 | CIF | Cl4 Zr | P a -3 | 10.32; 10.32; 10.32 90; 90; 90 | 1099.1 | Wyckoff, R. W. G. Page 261 from the second edition of Structure of Crystals by Wyckoff published by The Chemical Catalog Company, INC, New York in 1931 & http://www.crystallography.net/ The second edition of Structure of Crystals, 1931, 261-261 |
| 2000204 | CIF Paper | Br2 Cu H12 O12 | P a -3 | 10.324; 10.324; 10.324 90; 90; 90 | 1100.38 | Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E. Structure of hexaaquacopper(II) bromate Acta Crystallographica Section C, 1991, 47, 2019-2023 |
| 2010226 | CIF Paper | C H N3 O6 | P a -3 | 10.358; 10.358; 10.358 90; 90; 90 | 1111.29 | Schodel, H.; Dienelt, R.; Bock, H. Trinitromethane Acta Crystallographica Section C, 1994, 50, 1790-1792 |
| 4503063 | CIF | C4 H12 Si | P a -3 | 10.7328; 10.7328; 10.7328 90; 90; 90 | 1236.3 | Gajda, Roman; Katrusiak, Andrzej The Interplay of Molecular Conformation and Crystal Packing in Pressure-Frozen Tetramethylsilane Crystal Growth & Design, 2008, 8, 211 |
| 8104427 | CIF | C12 N6 | P a -3 | 10.781; 10.781; 10.781 90; 90; 90 | 1253.07 | Drueck, U.; Kutoglu, A. Experimental difference densities of hexacyanobenzene at 120 K. Refinement of electron density distributions with charge-cloud models Zeitschrift fuer Kristallographie (149,1979-), 1984, 166, 233-244 |
| 2310876 | CIF | C4 Ni O4 | P a -3 | 10.84; 10.84; 10.84 90; 90; 90 | 1273.76 | Ladell, J.; Post, B.; Fankuchen, I. The Crystal Structure of Nickel Carbonyl, Ni (C O)4 Acta Crystallographica (1,1948-23,1967), 1952, 5, 795-800 |
| 4000095 | CIF | Ga K O14 Te6 | P a -3 | 10.9267; 10.9267; 10.9267 90; 90; 90 | 1304.57 | Ok, Kang Min; Halasyamani, P. Shiv New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O Chemistry of Materials, 2001, 13, 4278-4284 |
| 1010626 | CIF | H18 N8 Ni O6 | P a -3 | 10.96; 10.96; 10.96 90; 90; 90 | 1316.5 | Wyckoff, R W G The composition and crystal structure of nickel nitrate hexammoniate Journal of the American Chemical Society, 1922, 44, 1260-1266 |
| 7232842 | CIF | C7 H18 F6 N3 P | P a -3 | 10.9739; 10.9739; 10.9739 90; 90; 90 | 1321.55 | Yunis, Ruhamah; Hollenkamp, Anthony F.; Forsyth, Craig; Doherty, Cara M.; Al-Masri, Danah; Pringle, Jennifer M. Organic salts utilising the hexamethylguanidinium cation: the influence of the anion on the structural, physical and thermal properties Physical Chemistry Chemical Physics, 2019 |
| 8102925 | CIF | Br4 Ge | P a -3 | 11.1723; 11.1723; 11.1723 90; 90; 90 | 1394.5 | Köhler, J.; Okudera, H.; Reuter, D.; Simon, A. Crystal structure of germanium tetrabromide, α-GeBr~4~, room temperature modification Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 523-523 |
| 2202247 | CIF HKL Paper | C4 H12 Pb | P a -3 | 11.1725; 11.1725; 11.1725 90; 90; 90 | 1394.6 | Holger Fleischer; Simon Parsons; Colin R. Pulham Tetramethyllead(IV) at 150K Acta Crystallographica Section E, 2003, 59, m11-m13 |
| 2105706 | CIF Paper | Br4 Si | P a -3 | 11.17701; 11.17701; 11.17701 90; 90; 90 | 1396.29 | Wolf, Alexandra K.; Glinnemann, Jürgen; Schmidt, Martin U.; Tong, Jianwei; Dinnebier, Robert E.; Simon, Arndt; Köhler, Jürgen SiBr4‒ prediction and determination of crystal structures Acta Crystallographica Section B Structural Science, 2009, 65, 342-349 |
| 7702912 | CIF | B3 H12 Nd | P a -3 | 11.2034; 11.2034; 11.2034 90; 90; 90 | 1406.21 | Payandeh GharibDoust, SeyedHosein; Heere, Michael; Nervi, Carlo; Sørby, Magnus H; Hauback, Bjørn C; Jensen, Torben R. Synthesis, structure, and polymorphic transitions of praseodymium(iii) and neodymium(iii) borohydride, Pr(BH<sub>4</sub>)<sub>3</sub> and Nd(BH<sub>4</sub>)<sub>3</sub>. Dalton transactions (Cambridge, England : 2003), 2018, 47, 8307-8319 |
| 1510884 | CIF | B2 Ca S4 | P a -3 | 11.21; 11.21; 11.21 90; 90; 90 | 1408.69 | Endo, T.; Takeda, T.; Sasaki, T.; Takizawa, H. High-pressure synthesis of a new calcium thioborate, Ca B2 S4 Materials Research Bulletin, 2003, 38, 33-39 |
| 9014087 | CIF | Cl6 Co Fe H18 N6 | P a -3 | 11.2506; 11.2506; 11.2506 90; 90; 90 | 1424.06 | Beattie, J. K.; Moore, C. J. Crystal and molecular structures of rinneite, sodium tripotassium hexachloroferrate(II), and hexaamminecobalt(III) hexachloroferrate(III). Comparison of iron-chloride distances in hexachloroferrates(II) and -(III) Inorganic Chemistry, 1982, 21, 1292-1295 |
| 1535632 | CIF | Br4 Ti | P a -3 | 11.258; 11.258; 11.258 90; 90; 90 | 1426.87 | Troyanov, S.I.; Rybakov, V.B.; Ionov, V.M. Synthesis and crystal structures of Ti Br4,Ti Br3 and Ti (Al Br4)2 Zhurnal Neorganicheskoi Khimii, 1990, 35, 882-887 |
| 7702909 | CIF | B3 H12 Pr | P a -3 | 11.2941; 11.2941; 11.2941 90; 90; 90 | 1440.64 | Payandeh GharibDoust, SeyedHosein; Heere, Michael; Nervi, Carlo; Sørby, Magnus H; Hauback, Bjørn C; Jensen, Torben R. Synthesis, structure, and polymorphic transitions of praseodymium(iii) and neodymium(iii) borohydride, Pr(BH<sub>4</sub>)<sub>3</sub> and Nd(BH<sub>4</sub>)<sub>3</sub>. Dalton transactions (Cambridge, England : 2003), 2018, 47, 8307-8319 |
| 1527733 | CIF | Cl6 Co H16 N4 O2 Tl | P a -3 | 11.3; 11.3; 11.3 90; 90; 90 | 1442.9 | Linhard, M.; Plieth, K.; Manthey, W. Die Kristallstruktur des Diaquo-tetrammin-cobalt(III)-hexachloro-thallats, [Co(NH~3~)~4~(H~2~O)~2~ [TlCl~6~] Zeitschrift für Elektrochemie, Berichte der Bunsengesellschaft für physikalische Chemie, 1953, 57, 862-866 |
| 1524099 | CIF | O8.85 Te3 U0.91 | P a -3 | 11.335; 11.335; 11.335 90; 90; 90 | 1456.35 | Brandstaetter, F. Non-stoichiometric, hydrothermally synthesized cliffordite TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-), 1981, 29, 1-8 |
| 9011110 | CIF | O9 Te3 U | P a -3 | 11.37; 11.37; 11.37 90; 90; 90 | 1469.88 | Galy, J.; Meunier, G. A propos de la cliffordite UTe3O8. Le Systeme UO3-TeO2 a 700 C. Structure cristalline de UTe3O9 Sample: T = 700 C Acta Crystallographica, Section B, 1971, 27, 608-616 |
| 7040391 | CIF | K3.92 O64 Te24 U4 | P a -3 | 11.394; 11.394; 11.394 90; 90; 90 | 1479.2 | Xiao, Bin; Kegler, Philip; Bosbach, Dirk; Alekseev, Evgeny V. Investigation of reactivity and structure formation in a K-Te-U oxo-system under high-temperature/high-pressure conditions. Dalton transactions (Cambridge, England : 2003), 2016, 45, 15225-15235 |
| 1530133 | CIF | Pb3.96 S9 Sb2.04 Sn | P a -3 | 11.549; 11.549; 11.549 90; 90; 90 | 1540.4 | Kaplunnik, L.N.; Pobedimskaya, E.A.; Belov, N.V. The garnet-like structure of synthetic sulfo salt (Pb0.66 Sb0.34)6 Sn S9 Doklady Akademii Nauk SSSR, 1977, 237, 1086-1089 |
| 7038374 | CIF | F7 Ge H12 N3 | P a -3 | 11.64724; 11.64724; 11.64724 90; 90; 90 | 1580.04 | Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Misyul, S. V. A non-typical sequence of phase transitions in (NH4)3GeF7: optical and structural characterization. Dalton transactions (Cambridge, England : 2003), 2016, 45, 5321-5327 |
| 1518352 | CIF | C3 H3 Cl Cu N3 S3 | P a -3 | 11.70071; 11.70071; 11.70071 90; 90; 90 | 1601.9 | Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K. Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor Chem. Sci., 2015, 6, 1465 |
| 7056815 | CIF | Cl7 Cr Hg6 P4 | P a -3 | 11.7364; 11.7364; 11.7364 90; 90; 90 | 1616.61 | Peng, Si-Yan; Yang, Liu-Sai; Yao, Ming-Shui; Yu, Le-Shu A new pnictidehalide with van der Waals host‒guest interactions exhibiting both geometric spin frustration and resistive humidity sensitivity New Journal of Chemistry, 2018, 42, 1787 |
| 1518353 | CIF | C3 H3 Cl Cu N3 S3 | P a -3 | 11.74713; 11.74713; 11.74713 90; 90; 90 | 1621.05 | Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K. Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor Chem. Sci., 2015, 6, 1465 |
| 4308932 | CIF | C3 H3 Cl Cu N3 S3 | P a -3 | 11.7472; 11.7472; 11.7472 90; 90; 90 | 1621.07 | Dan Li; Wen-Juan Shi; Lei Hou Coordination Polymers of Copper(I) Halides and Neutral Heterocyclic Thiones with New Coordination Modes Inorganic Chemistry, 2005, 44, 3907-3913 |
| 2106653 | CIF HKL Paper | F7 H12 N3 Ti | P a -3 | 11.78316; 11.78316; 11.78316 90; 90; 90 | 1636.01 | Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M. Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 924-931 |
| 2108350 | CIF HKL Paper | F7 H12 N3 Ti | P a -3 | 11.78316; 11.78316; 11.78316 90; 90; 90 | 1636.01 | Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M. Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 924-931 |
| 1518354 | CIF | C3 H3 Cl Cu N3 S3 | P a -3 | 11.78842; 11.78842; 11.78842 90; 90; 90 | 1638.2 | Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K. Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor Chem. Sci., 2015, 6, 1465 |
| 4308933 | CIF | C3 H3 Br Cu N3 S3 | P a -3 | 11.8847; 11.8847; 11.8847 90; 90; 90 | 1678.67 | Dan Li; Wen-Juan Shi; Lei Hou Coordination Polymers of Copper(I) Halides and Neutral Heterocyclic Thiones with New Coordination Modes Inorganic Chemistry, 2005, 44, 3907-3913 |
| 1010061 | CIF | Ge I4 | P a -3 | 11.89; 11.89; 11.89 90; 90; 90 | 1680.9 | Jaeger, F M; Terpstra, P; Westenbrink, H G K On the crystal structure of germanium-tetraiodide Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen, 1925, 28, 747-766 |
| 1534161 | CIF | Br6 H12 Mg O6 Te | P a -3 | 11.93; 11.93; 11.93 90; 90; 90 | 1697.94 | Angoso, A.; Onken, H.; Hahn, H. Zur Struktur der Magnesiumhexaquo-hexahalogenotellurate(IV) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1964, 328, 223-230 |
| 2106623 | CIF Paper | F5 H12 N3 O2 W | P a -3 | 11.9635; 11.9635; 11.9635 90; 90; 90 | 1712.28 | Udovenko, Anatoly; Laptash, Natalia Crystal structure and phase transition in (NH~4~)~3~WO~2~F~5~: from dynamic to static orientational disorder Acta Crystallographica Section B, 2015, 71, 478-483 |
| 1525681 | CIF | I4 Si | P a -3 | 11.98; 11.98; 11.98 90; 90; 90 | 1719.37 | Biehl, E.; Schubert, U. Reaktionen von Siliciummonoxid mit Muenzmetallhalogeniden Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 2000, 131, 813-818 |
| 1010051 | CIF | I4 Si | P a -3 | 11.986; 11.986; 11.986 90; 90; 90 | 1722 | Hassel, O; Kringstad, H Bemerkungen ueber den Kristallbau der Tetrahalogenide leichterer Elemente. Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1931, 13, 1-12 |
| 4308934 | CIF | C3 H3 Cu I N3 S3 | P a -3 | 12.0266; 12.0266; 12.0266 90; 90; 90 | 1739.52 | Dan Li; Wen-Juan Shi; Lei Hou Coordination Polymers of Copper(I) Halides and Neutral Heterocyclic Thiones with New Coordination Modes Inorganic Chemistry, 2005, 44, 3907-3913 |
| 4338925 | CIF | H10 O6 Re6 Se8 | P a -3 | 12.084; 12.084; 12.084 90; 90; 90 | 1764.5 | Brylev, Konstantin A.; Mironov, Yuri V.; Yarovoi, Spartak S.; Naumov, Nikolai G.; Fedorov, Vladimir E.; Kim, Sung-Jin; Kitamura, Noboru; Kuwahara, Yusuke; Yamada, Konatsu; Ishizaka, Shoji; Sasaki, Yoichi A family of octahedral rhenium cluster complexes [Re6Q8(H2O)n(OH)6-n]n-4 (Q=S, Se; n=0-6): structural and pH-dependent spectroscopic studies. Inorganic chemistry, 2007, 46, 7414-7422 |
| 1529273 | CIF HKL | F7 H12 N3 Sn | P a -3 | 12.0866; 12.0866; 12.0866 90; 90; 90 | 1765.68 | Flerov, Igor; Molokeev, Maxim; Laptash, Natalia; Udovenko, Anatoly; Pogoreltsev, Evgeniy; Melnikova, Svetlana; Misyul, Sergey Structural transformation between two cubic phases of (NH4)3SnF7 Journal of Fluorine Chemistry, 2015, 179, 86 |
| 7715810 | CIF | As4 Li8 Si | P a -3 | 12.096; 12.096; 12.096 90; 90; 90 | 1769.8 | Schmid, Martin; Wegner, Florian; De Giorgi, Claudia; Pielnhofer, Florian; Pfitzner, Arno The cubic structure of Li<sub>3</sub>As stabilized by substitution - Li<sub>8</sub>TtAs<sub>4</sub> (Tt = Si, Ge) and Li<sub>14</sub>TtAs<sub>6</sub> (Tt = Si, Ge, Sn) and their lithium ion conductivity. Dalton transactions (Cambridge, England : 2003), 2024, 53, 11257-11263 |
| 1536301 | CIF | As4 Cl7 Hg6 In | P a -3 | 12.109; 12.109; 12.109 90; 90; 90 | 1775.52 | Olenev, A.V.; Tyablikov, A.S.; Shatruk, M.M.; Baranov, A.I.; Shevel'kov, A.V. Synthesis and the crystal structure of (Hg As4) (In Cl6) Cl: influence of covalent and electrostatic factors on the supramolecular structure Izvestiya Akad. Nauk, Seriya Khimicheskaya, 2002, 51, 414-418 |
| 8104083 | CIF | Ge In4 S4 | P a -3 | 12.1231; 12.1231; 12.1231 90; 90; 90 | 1781.73 | Deiseroth, H.J.; Pfeifer, H. Crystal structure of Ge In4 S4 Zeitschrift fuer Kristallographie (149,1979-), 1993, 208, 378-379 |
| 2102034 | CIF Paper | Al H24 K O20 S2 | P a -3 | 12.135; 12.135; 12.135 90; 90; 90 | 1786.98 | Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B, 2000, 56, 204-209 |
| 1011209 | CIF | Al H24 K O20 S2 | P a -3 | 12.157; 12.157; 12.157 90; 90; 90 | 1796.7 | Lipson, H; Beevers, C A The crystal structure of the alums Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-), 1934, 148, 664-680 |
| 9014255 | CIF | Al H24 K1.3 O20 S2 | P a -3 | 12.157; 12.157; 12.157 90; 90; 90 | 1796.71 | Larson, A. C.; Cromer, D. T. Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O Acta Crystallographica, 1967, 22, 793-800 |
| 2102035 | CIF Paper | Al H24 K O20 S2 | P a -3 | 12.164; 12.164; 12.164 90; 90; 90 | 1799.82 | Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B, 2000, 56, 204-209 |
| 1532122 | CIF | Al0.95 Cr0.05 H24 K O20 S2 | P a -3 | 12.165; 12.165; 12.165 90; 90; 90 | 1800.27 | Rozhdestvenskaya, I.V.; Frank-Kamenetskaya, O.V.; Bannova, I.I.; Shtukenberg, A.G. Triclinic structure of birefringent crystals of K (Al0.95 Cr0.05) (S O4)2 * 12(H2 O) Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 2001, 42, 753-765 |
| 7715807 | CIF | As4 Ge Li8 | P a -3 | 12.17; 12.17; 12.17 90; 90; 90 | 1802.5 | Schmid, Martin; Wegner, Florian; De Giorgi, Claudia; Pielnhofer, Florian; Pfitzner, Arno The cubic structure of Li<sub>3</sub>As stabilized by substitution - Li<sub>8</sub>TtAs<sub>4</sub> (Tt = Si, Ge) and Li<sub>14</sub>TtAs<sub>6</sub> (Tt = Si, Ge, Sn) and their lithium ion conductivity. Dalton transactions (Cambridge, England : 2003), 2024, 53, 11257-11263 |
| 1010529 | CIF | Cr H24 K O20 S2 | P a -3 | 12.171; 12.171; 12.171 90; 90; 90 | 1802.9 | Lipson, H; Beevers, C A The Crystal Structure of the Alums Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-), 1934, 148, 664-680 |
| 1011177 | CIF | Al H24 K O20 S2 | P a -3 | 12.18; 12.18; 12.18 90; 90; 90 | 1806.9 | Beevers, C A; Lipson, H Crystal structure of the alums Nature (London), 1934, 134, 327-327 |
| 1534753 | CIF | Cr H24 K O20 S2 | P a -3 | 12.2; 12.2; 12.2 90; 90; 90 | 1815.85 | Bacon, G.E.; Gardner, W.E. The structure of chromium potassium alum Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-), 1958, 246, 79-90 |
| 9017147 | CIF | Al0.877 Fe0.123 H24 K0.879 O20 S2 Tl0.121 | P a -3 | 12.203; 12.203; 12.203 90; 90; 90 | 1817.19 | Biagioni, C.; Mauro, D.; Pasero, M.; Bonaccorsi, E.; Lepore, G. O.; Zaccarini, F.; Skogby, H. Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). VI. Tl-bearing alum-(K) and voltaite from the Fornovolasco mining complex American Mineralogist, 2020, 105, 1088-1098 |
| 9009705 | CIF | Al2.05 Ca1.42 F1.6 Fe1.08 H1.12 Li0.54 Mg0.06 Mn3.54 Na1.02 O24.4 P5.82 | P a -3 | 12.205; 12.205; 12.205 90; 90; 90 | 1818.08 | Rinaldi, R. The crystal structure of griphite, a complex phosphate, not a garnetoid Bulletin de Mineralogie, 1978, 101, 543-547 |
| 2102036 | CIF Paper | Al H24 O20 S2 Tl | P a -3 | 12.207; 12.207; 12.207 90; 90; 90 | 1818.98 | Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B, 2000, 56, 204-209 |
| 1010531 | CIF | Al H24 O20 S2 Tl | P a -3 | 12.207; 12.207; 12.207 90; 90; 90 | 1819 | Lipson, H; Beevers, C A The Crystal Structure of the Alums Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-), 1934, 148, 664-680 |
| 9011064 | CIF | Al H24 Na O20 S2 | P a -3 | 12.213; 12.213; 12.213 90; 90; 90 | 1821.66 | Cromer, D. T.; Kay, M. I.; Larson, A. C. Refinement of the alum structures. II. X-ray and neutron diffraction of NaAl(SO4)2*12H2O, gamma alum Locality: synthetic Acta Crystallographica, 1967, 22, 182-187 |
| 2102038 | CIF Paper | Cr H24 K O20 S2 | P a -3 | 12.2133; 12.2133; 12.2133 90; 90; 90 | 1821.79 | Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B, 2000, 56, 204-209 |
| 1010528 | CIF | Al H28 N O20 S2 | P a -3 | 12.215; 12.215; 12.215 90; 90; 90 | 1822.6 | Lipson, H; Beevers, C A The Crystal Structure of the Alums Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-), 1934, 148, 664-680 |
| 1010501 | CIF | I4 Sn | P a -3 | 12.23; 12.23; 12.23 90; 90; 90 | 1829.3 | Dickinson, R G Die Symmetrie und der Elementarbereich von Zinntetrajodid. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1926, 64, 400-404 |
| 1010610 | CIF | I4 Sn | P a -3 | 12.23; 12.23; 12.23 90; 90; 90 | 1829.3 | Dickinson, R G The crystal structure of tin tetraiodide Journal of the American Chemical Society, 1923, 45, 958-962 |
| 2102037 | CIF Paper | Al H24 O20 S2 Tl | P a -3 | 12.2305; 12.2305; 12.2305 90; 90; 90 | 1829.5 | Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B, 2000, 56, 204-209 |
| 2102039 | CIF Paper | Cr H24 K O20 S2 | P a -3 | 12.2305; 12.2305; 12.2305 90; 90; 90 | 1829.5 | Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B, 2000, 56, 204-209 |
| 2102041 | CIF Paper | Ga H24 O20 S2 Tl | P a -3 | 12.2368; 12.2368; 12.2368 90; 90; 90 | 1832.33 | Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B, 2000, 56, 204-209 |
| 1520986 | CIF | Cs3 Mg2 N O17 P6 | P a -3 | 12.239; 12.239; 12.239 90; 90; 90 | 1833.32 | Feldmann, W.; l'Haridon, P.; Marchand, R. Synthesis and crystal structure determination of Cs3 Mg2 P6 O17 N : the first example of a nitrido-oxo-cyclo-hexa phosphate Journal of Solid State Chemistry, 2000, 153, 185-191 |
| 9016346 | CIF | Al H24 N O20 S2 | P a -3 | 12.24; 12.24; 12.24 90; 90; 90 | 1833.77 | Larson, A. C.; Cromer, D. T. Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O Acta Crystallographica, 1967, 22, 793-800 |
| 8105475 | CIF | Al H27 O21 S2 | P a -3 | 12.2403; 12.2403; 12.2403 90; 90; 90 | 1833.9 | Liu, Yan; Hao, Min; Gao, Jianfeng; Liu, Jianghui; Cui, Juan The crystal structure of oxonium hexaquaaluminium disulfate hexahydrate Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 1393-1394 |
| 2011080 | CIF HKL Paper | Cr H24 O20 Rb S2 | P a -3 | 12.241; 12.241; 12.241 90; 90; 90 | 1834.2 | Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N. The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K Acta Crystallographica Section C, 2000, 56, 731-734 |
| 9011444 | CIF | Al H28 N O20 S2 | P a -3 | 12.242; 12.242; 12.242 90; 90; 90 | 1834.67 | Abdeen, A. M.; Will, G.; Schaefer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A. X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Locality: synthetic Sample: X-ray data Zeitschrift fur Kristallographie, 1981, 157, 147-166 |
| 9017362 | CIF | Al H24 N O12 Os8 S2 | P a -3 | 12.242; 12.242; 12.242 90; 90; 90 | 1834.67 | Abdeen, A. M.; Will, G.; Schaefer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A. X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Sample: X-ray data Zeitschrift fur Kristallographie, 1981, 157, 147-166 |
| 7243100 | CIF | B12 H13 K O25 | P a -3 | 12.243; 12.243; 12.243 90; 90; 90 | 1835.1 | Qiu, Qi-Ming; Yang, Guo-Yu From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates CrystEngComm, 2021, 23, 5200-5207 |
| 2310370 | CIF | Al D28 N O20 S2 | P a -3 | 12.243; 12.243; 12.243 90; 90; 90 | 1835.12 | Cromer, D.T.; Kay, M.I. Refinement of the alum structures IV. Neutron diffraction study of deuterated ammonium alum, N D4 Al (S O4)2 (D2 O)12, an alpha-Alum Acta Crystallographica (1,1948-23,1967), 1967, 22, 800-805 |
| 9014781 | CIF | Al H24 O20 Rb S2 | P a -3 | 12.243; 12.243; 12.243 90; 90; 90 | 1835.12 | Larson, A. C.; Cromer, D. T. Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O Acta Crystallographica, 1967, 22, 793-800 |
| 9008299 | CIF | Al H28 N O20 S2 | P a -3 | 12.248; 12.248; 12.248 90; 90; 90 | 1837.36 | Abdeen, A. M.; Will, G.; Schafer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A. X-ray and neutron diffraction study of alums: II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Note: Neutron data Zeitschrift fur Kristallographie, 1981, 157, 147-166 |
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