Crystallography Open Database
Search results
Result: there are 528468 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format
We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.
Displaying all data in COD
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9013451 | CIF | Fe2 Rb S3 | C m c m | 9.2202; 11.2429; 5.445 90; 90; 90 | 564.438 | Mitchell, R. H.; Ross, K. C.; Potter, E. G. Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic Journal of Solid State Chemistry, 2004, 177, 1867-1872 |
| 9013452 | CIF | Fe2 Rb S3 | C m c m | 9.2202; 11.2429; 5.445 90; 90; 90 | 564.438 | Mitchell, R. H.; Ross, K. C.; Potter, E. G. Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Note: Rietveld refinement using FULLPROF Locality: synthetic Journal of Solid State Chemistry, 2004, 177, 1867-1872 |
| 9013453 | CIF | Fe2 K S3 | C m c m | 9.0415; 11.0298; 5.41771 90; 90; 90 | 540.286 | Mitchell, R. H.; Ross, K. C.; Potter, E. G. Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic Journal of Solid State Chemistry, 2004, 177, 1867-1872 |
| 9013454 | CIF | Cs0.5 Fe2 Rb0.5 S3 | C m c m | 9.4144; 11.4632; 5.4691 90; 90; 90 | 590.221 | Mitchell, R. H.; Ross, K. C.; Potter, E. G. Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic Journal of Solid State Chemistry, 2004, 177, 1867-1872 |
| 9013455 | CIF | Fe2 K0.5 Rb0.5 S3 | C m c m | 9.1554; 11.1612; 5.4382 90; 90; 90 | 555.704 | Mitchell, R. H.; Ross, K. C.; Potter, E. G. Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic Journal of Solid State Chemistry, 2004, 177, 1867-1872 |
| 9013456 | CIF | Cs0.5 Fe2 K0.5 S3 | C m c m | 9.3268; 11.3693; 5.4592 90; 90; 90 | 578.889 | Mitchell, R. H.; Ross, K. C.; Potter, E. G. Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic Journal of Solid State Chemistry, 2004, 177, 1867-1872 |
| 9013458 | CIF | Ga5 Gd3 O12 | I a -3 d | 12.3829; 12.3829; 12.3829 90; 90; 90 | 1898.75 | Sawada, H. Electron density of garnets Z3Ga5O12; Z=Nd, Sm, Gd, Tb Journal of Solid State Chemistry, 1997, 132, 300-307 |
| 9013459 | CIF | Bi O1.75 | C -4 2 b | 15.5; 15.5; 5.64 90; 90; 90 | 1355.01 | Gattow, G.; Schutze, D. Uber wismutoxide. VI. Uber ein Wismut(III)-oxid mit hoherem sauerstoffgehalt (beta-modifikation) Zeitschrift fur Anorganische und Allgemeine Chemie, 1964, 328, 44-68 |
| 9013460 | CIF | Fe Na O8 Se2 | C 1 2/m 1 | 8.231; 5.425; 7.176 90; 92.44; 90 | 320.141 | Giester, G. Crystal structure of the yavapaiite type compound NaFe[SeO4]2 Mineralogy and Petrology, 1993, 48, 227-233 |
| 9013461 | CIF | Be1.821 K0.926 Mg2.793 Mn0.386 Na0.772 O30 Si12 | P 6/m c c | 9.97; 9.97; 14.13 90; 90; 120 | 1216.36 | Lengauer, C. L.; Hrauda, N.; Kolitsch, U.; Krickl, R.; Tillmanns, E. Friedrichbeckeite, K(_0.5Na0.5)2(Mg0.8Mn0.1Fe0.1)2(Be0.6Mg0.4)3[Si12O30], a new milarite-type mineral from the Bellerberg volcano, Eifel area, Germany Mineralogy and Petrology, 2009, 96, 221-232 |
| 9013462 | CIF | As2 Cu3 O8 | P 1 21/c 1 | 6.327; 8.642; 11.313 90; 92.04; 90 | 618.179 | Poulsen, S. J.; Calvo, C. Crystal structure of Cu3(AsO4)2 Canadian Journal of Chemistry, 1968, 46, 917-927 |
| 9013463 | CIF | Fe | I m -3 m | 2.8604; 2.8604; 2.8604 90; 90; 90 | 23.403 | Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25C Note: lattice parameter is average of four samples Journal of Chemical Physics, 1935, 3, 605-616 |
| 9013464 | CIF | Sb | P 63/m m c | 4.2995; 4.2995; 11.2515 90; 90; 120 | 180.126 | Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25C Note: sample 1 Journal of Chemical Physics, 1935, 3, 605-616 |
| 9013465 | CIF | C2 Ba Ca O6 | P 1 21/m 1 | 8.092; 5.2344; 6.544 90; 106.05; 90 | 266.378 | Dickens, B.; Bowen, J. S. The crystal structure of BaCa(CO3)2 (barytocalcite) Journal of Research of the National Bureau of Standards - Physics and Chemistry, 1971, 197-203 |
| 9013466 | CIF | Fe3 H6 O11 P2 | P b n a | 9.46; 10.024; 8.67 90; 90; 90 | 822.15 | Moore, P. B.; Araki, T. A mixed-valence solid-solution series: Crystal structures of phosphoferrite, Fe3(H2O)3[PO4]2, and kryzhanovskite, Fe3(OH)3[PO4]2 Inorganic Chemistry, 1976, 15, 316-321 |
| 9013467 | CIF | Fe3 H3 O11 P2 | P b n a | 9.518; 9.749; 8.031 90; 90; 90 | 745.204 | Moore, P. B.; Araki, T. A mixed-valence solid-solution series: Crystal structures of phosphoferrite, Fe3(H2O)3[PO4]2, and kryzhanovskite, Fe3(OH)3[PO4]2 Note: this sample was synthesized by heating phosphoferrite in air Inorganic Chemistry, 1976, 15, 316-321 |
| 9013468 | CIF | N S | P 1 21/n 1 | 8.752; 7.084; 8.629 90; 93.68; 90 | 533.888 | LeLucia, M. L.; Coppens, P. Crystal structure of tetrasulfur tetranitride (S4N4) at 120 K Note: T = 120 K Inorganic Chemistry, 1978, 17, 2336-2338 |
| 9013469 | CIF | Ca2 Fe2 O5 | P n m a | 5.4253; 14.7687; 5.598 90; 90; 90 | 448.538 | Berggren, J. Refinement of the crystal structure of dicalcium ferrite, Ca2Fe2O5 Acta Chemica Scandinavica, 1971, 25, 3616-3624 |
| 9013470 | CIF | Hf O2 | P 1 21/c 1 | 5.1156; 5.1722; 5.2948 90; 99.18; 90 | 138.3 | Ruh, R.; Corfield, P. W. R. Crystal structure of monoclinic hafnia and comparison with monoclinic zirconia Locality: synthetic Journal of the American Ceramic Society, 1970, 53, 126-129 |
| 9013471 | CIF | C3 H12 Na3 O15 Y | P 63 | 11.347; 11.347; 5.935 90; 90; 120 | 661.78 | Ben Ali, A.; Awaleh, M. O.; Leblanc, M.; Smiri, L. S.; Maisonneuve, V.; Houlbert, S. Hydrothermal sythesis, crystal structure, thermal behaviour, IR and Raman spectroscopy of Na3Y(CO3)3*6H2O Locality: synthetic Comptes Rendus Chimie, 2004, 7, 661-668 |
| 9013472 | CIF | Fe | I m -3 m | 2.869; 2.869; 2.869 90; 90; 90 | 23.615 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 513 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9013473 | CIF | Fe | I m -3 m | 2.873; 2.873; 2.873 90; 90; 90 | 23.714 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 623 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9013474 | CIF | Fe | I m -3 m | 2.878; 2.878; 2.878 90; 90; 90 | 23.838 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 722 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9013475 | CIF | Fe | I m -3 m | 2.882; 2.882; 2.882 90; 90; 90 | 23.938 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 822 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9013476 | CIF | Fe | I m -3 m | 2.886; 2.886; 2.886 90; 90; 90 | 24.037 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 921 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9013477 | CIF | Fe | I m -3 m | 2.89; 2.89; 2.89 90; 90; 90 | 24.138 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 994 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9013478 | CIF | Fe | I m -3 m | 2.891; 2.891; 2.891 90; 90; 90 | 24.163 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 1026 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9013479 | CIF | Fe | I m -3 m | 2.891; 2.891; 2.891 90; 90; 90 | 24.163 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 1033 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9013480 | CIF | Fe | I m -3 m | 2.892; 2.892; 2.892 90; 90; 90 | 24.188 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 1043 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9013481 | CIF | Fe | I m -3 m | 2.893; 2.893; 2.893 90; 90; 90 | 24.213 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 1060 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9013482 | CIF | Fe | I m -3 m | 2.895; 2.895; 2.895 90; 90; 90 | 24.263 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 1120 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9013483 | CIF | Fe | I m -3 m | 2.897; 2.897; 2.897 90; 90; 90 | 24.313 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 1175 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9013484 | CIF | Fe | I m -3 m | 2.898; 2.898; 2.898 90; 90; 90 | 24.339 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 1189 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9013485 | CIF | Fe | I m -3 m | 2.925; 2.925; 2.925 90; 90; 90 | 25.025 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 1662 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9013486 | CIF | Fe | I m -3 m | 2.926; 2.926; 2.926 90; 90; 90 | 25.051 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 1667 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9013487 | CIF | Fe | I m -3 m | 2.928; 2.928; 2.928 90; 90; 90 | 25.102 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 1705 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9013488 | CIF | Fe | I m -3 m | 2.933; 2.933; 2.933 90; 90; 90 | 25.231 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 1775 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9013489 | CIF | Al5.655 Mg2.39 O10 Si1.455 | P 1 21/a 1 | 11.286; 14.438; 9.957 90; 125.4; 90 | 1322.52 | Higgins, J. B.; Ribbe, P. H. A neutron and x-ray diffraction study of (Mg-Al)VI and (Si-Al)IV ordering monoclinic sapphirine Locality: Bekily, Madagasgar Note: Data from neutron, known as sapphirine II Contributions to Mineralogy and Petrology, 1979, 68, 357-368 |
| 9013490 | CIF | Al5.655 Mg2.39 O10 Si1.455 | P 1 21/a 1 | 11.286; 14.438; 9.957 90; 125.4; 90 | 1322.52 | Higgins, J. B.; Ribbe, P. H. A neutron and x-ray diffraction study of (Mg-Al)VI and (Si-Al)IV ordering monoclinic sapphirine Locality: Bekily, Madagasgar Note: Data from x-ray diffraction, known as sapphirine II Contributions to Mineralogy and Petrology, 1979, 68, 357-368 |
| 9013491 | CIF | O2 Si | A 1 a 1 | 25.878; 5.001; 18.526 90; 117.69; 90 | 2122.98 | Hirose, T.; Kihara, K.; Okuno, M.; Fujinami, S.; Shinoda, K. X-ray, DTA and Raman studies of monoclinic tridymite and its higher temperature orthorhombic modification with varying temperature. Note: T = 298 K Journal of Mineralogical and Petrological Sciences, 2005, 100, 55-69 |
| 9013492 | CIF | O2 Si | A 1 a 1 | 25.919; 5.004; 18.54 90; 117.72; 90 | 2128.64 | Hirose, T.; Kihara, K.; Okuno, M.; Fujinami, S.; Shinoda, K. X-ray, DTA and Raman studies of monoclinic tridymite and its higher temperature orthorhombic modification with varying temperature. Note: T = 373 K Journal of Mineralogical and Petrological Sciences, 2005, 100, 55-69 |
| 9013493 | CIF | O2 Si | P 21 21 21 | 26.163; 4.987; 8.199 90; 90; 90 | 1069.76 | Hirose, T.; Kihara, K.; Okuno, M.; Fujinami, S.; Shinoda, K. X-ray, DTA and Raman studies of monoclinic tridymite and its higher temperature orthorhombic modification with varying temperature. Note: T = 413 K Journal of Mineralogical and Petrological Sciences, 2005, 100, 55-69 |
| 9013494 | CIF | Al1.92 Ca1.1 Fe0.88 H Mn0.2 O13 Si3 Sr0.9 | P 1 21/m 1 | 8.928; 5.652; 10.244 90; 114.46; 90 | 470.53 | Minakawa, T.; Fukushima, H.; Nishio-Hamane D; Miura, H. Epidote-(Sr), CaSrAl2Fe(Si2O7)(SiO4)(OH), a new mineral from the Ananai mine, Kochi Prefecture, Japan Locality: Ananai mine, Kochi Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2008, 103, 400-406 |
| 9013495 | CIF | Sb | R -3 m :H | 4.307; 4.307; 11.273 90; 90; 120 | 181.101 | Schiferl, D. 50-kilobar gasketed diamond anvil cell for single-crystal X-ray diffractometer use with the crystal sxtructure of Sb up to 26 kilobars as a test problem Locality: synthetic Sample: at 2.6 GPa Note: cell parameters from ICSD Note: phase known as Sb(I) Review of Scientific Instruments, 1977, 48, 24-30 |
| 9013496 | CIF | Au Cu3 | P m -3 m | 3.74; 3.74; 3.74 90; 90; 90 | 52.314 | Megaw, H. D. Copper-gold alloy, Cu3Au Crystal Structures, 1973, 1973, 89-90 |
| 9013497 | CIF | Fe0.434 S Zn0.566 | P 63 m c | 3.8353; 3.8353; 6.3008 90; 90; 120 | 80.265 | Kullerud, G. The Fe S - Zn S system. A geological thermometer Norsk Geologisk Tidsskrift, 1953, 32, 61-147 |
| 9013498 | CIF | Fe0.442 S Zn0.558 | P 63 m c | 3.8357; 3.8357; 6.3002 90; 90; 120 | 80.274 | Kullerud, G. The Fe S - Zn S system. A geological thermometer Norsk Geologisk Tidsskrift, 1953, 32, 61-147 |
| 9013499 | CIF | Fe2 S3 Tl | C m c m | 9.083; 10.754; 5.412 90; 90; 90 | 528.636 | Balic-Zunic T; Karanovic, L.; Poleti, D. Crystal structure of picotpaulite, TlFe2S3, from Allchar, FYR Macedonia Acta Chimica Slovenica, 2008, 55, 801-809 |
| 9013500 | CIF | Al Ca O6 Sc Si | C 1 2/c 1 | 9.884; 8.988; 5.446 90; 105.86; 90 | 465.391 | Ohashi, H.; Ii, N. Structure of calcium scandium aluminum silicate (CaScAlSiO6)-pyroxene, Journal of the Japanese Association of Mineralogists, Petrologists and Economic Geologists, 1978, 73, 267-273 |
| 9013501 | CIF | H12 K2 Mg O14 S2 | P 1 21/a 1 | 9.0954; 12.2484; 6.1335 90; 104.88; 90 | 660.383 | Bosi, F.; Belardi, G.; Ballirano, P. Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, with M2+= Mg, Fe, Co, Ni, Cu, and Zn American Mineralogist, 2009, 94, 74-82 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!