Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9013432 | CIF | Bi2.76 Pb5.24 S9 | C 1 2/m 1 | 13.719; 4.132; 31.419 90; 90.94; 90 | 1780.81 | Callegari, A. M.; Boiocchi, M. Aschamalmite (Pb6Bi2S9): crystal structure and ordering scheme for Pb and Bi atoms Locality: Susa Valley, Piedmont, Italy Mineralogical Magazine, 2009, 73, 83-94 |
| 9013433 | CIF | C H13 B2 Cl25 O46 Pb47 | C 1 m 1 | 17.372; 27.9419; 10.6661 90; 93.152; 90 | 5169.56 | Krivovichev, S. V.; Turner, R.; Rumsey, M.; Sidra, O. I.; Kirk, C. A. The crystal structure and chemistry of mereheadite Mineralogical Magazine, 2009, 73, 103-117 |
| 9013434 | CIF | Al0.24 Fe5.6 H6 O18 P3 Zn1.16 | B b m m | 13.865; 16.798; 5.151 90; 90; 90 | 1199.69 | Elliot, P.; Kolitsch, U.; Giester, G.; Libowitzky, E.; McCammon, C.; Pring, A.; Birch, W. D.; Brugger, J. Description and crystal structure of a new mineral - plimerite, ZnFe3+4(PO4)3(OH)5 - the Zn-analogue of rockbridgeite and frondelite, from Broken Hill, New South Wales, Australia Locality: Broken Hill, New South Wales, Australia Mineralogical Magazine, 2009, 73, 131-148 |
| 9013435 | CIF | Al1.782 Ca0.731 H6 O13.625 Si4.218 | F d -3 m :2 | 24.71; 24.71; 24.71 90; 90; 90 | 15087.5 | Bennett, J. M.; Smith, J. V. Positions of cations and molecules in zeolites with the faujasite-type framework III. Hydrated Ca-exchanged faujasite Materials Research Bulletin, 1968, 3, 933-940 |
| 9013436 | CIF | Bi O4 V | I 1 1 2/b | 5.2146; 5.0842; 11.7063 90; 90; 90.394 | 310.351 | Sleight, A. W.; Chen, H.-Y.; Ferretti, A.; Cox, D. E. Crystal growth and structure of BiVO4 Sample: T = 4.5 K Materials Research Bulletin, 1979, 14, 1571-1581 |
| 9013437 | CIF | Bi O4 V | I 1 1 2/b | 5.1935; 5.0898; 11.6972 90; 90; 90.387 | 309.195 | Sleight, A. W.; Chen, H.-Y.; Ferretti, A.; Cox, D. E. Crystal growth and structure of BiVO4 Sample: T = 295 K Materials Research Bulletin, 1979, 14, 1571-1581 |
| 9013438 | CIF | F6 K Na Si | P n m a | 9.3246; 5.4992; 9.7892 90; 90; 90 | 501.969 | Fischer, J.; Kramer, V. Crystal structure of KNaSiF_6_ Materials Research Bulletin, 1991, 26, 925-930 |
| 9013439 | CIF | Ca2.572 H4 Na0.856 O13.42 S3 | C 1 2 1 | 12.089; 6.903; 6.3537 90; 90.089; 90 | 530.218 | Freyer, D.; Reck, G.; Bremer, M.; Voigt, W. Thermal behaviour and crystal structure of sodium-containing hemihydrates of calcium sulfate Note: subcell Monatshefte fur Chemie, 1999, 130, 1179-1193 |
| 9013440 | CIF | Ca2.572 H4 Na0.858 O13.442 S3 | C 1 2 1 | 24.1781; 13.805; 12.7074 90; 90.089; 90 | 4241.45 | Freyer, D.; Reck, G.; Bremer, M.; Voigt, W. Thermal behaviour and crystal structure of sodium-containing hemihydrates of calcium sulfate Note: supercell Monatshefte fur Chemie, 1999, 130, 1179-1193 |
| 9013441 | CIF | Bi Cu Pt S3 | P 21 21 21 | 7.7152; 12.838; 4.9248 90; 90; 90 | 487.79 | Yu, Z.; Cheng, F.; Ma, H. Lisiguangite, CuPtBiS3, a new platinum-group mineral from the Yanshan Mountains, Hebei, China Locality: Yanshan Mountains, Hebei, China Acta Geologica Sinica, 2009, 83, 238-244 |
| 9013442 | CIF | O4 Pb3 | P b a m | 8.8189; 8.8068; 6.5636 90; 90; 90 | 509.77 | Gavarri, J. R.; Weigel, D.; Hewat, A. W. Oxydes de plomb. IV. Evolution structurale de l'oxyde Pb3O4 entre 240 et 5 K et mecanisme de la transition Locality: synthetic Sample: T = 240 K Journal of Solid State Chemistry, 1978, 23, 327-339 |
| 9013443 | CIF | O4 Pb3 | P b a m | 8.8179; 8.8032; 6.562 90; 90; 90 | 509.38 | Gavarri, J. R.; Weigel, D.; Hewat, A. W. Oxydes de plomb. IV. Evolution structurale de l'oxyde Pb3O4 entre 240 et 5 K et mecanisme de la transition Locality: synthetic Sample: T = 200 K Journal of Solid State Chemistry, 1978, 23, 327-339 |
| 9013444 | CIF | O4 Pb3 | P b a m | 8.8193; 8.8008; 6.5618 90; 90; 90 | 509.307 | Gavarri, J. R.; Weigel, D.; Hewat, A. W. Oxydes de plomb. IV. Evolution structurale de l'oxyde Pb3O4 entre 240 et 5 K et mecanisme de la transition Locality: synthetic Sample: T = 180 K Journal of Solid State Chemistry, 1978, 23, 327-339 |
| 9013445 | CIF | O4 Pb3 | P b a m | 8.9496; 8.6638; 6.5616 90; 90; 90 | 508.77 | Gavarri, J. R.; Weigel, D.; Hewat, A. W. Oxydes de plomb. IV. Evolution structurale de l'oxyde Pb3O4 entre 240 et 5 K et mecanisme de la transition Locality: synthetic Sample: T = 140 K Journal of Solid State Chemistry, 1978, 23, 327-339 |
| 9013446 | CIF | O4 Pb3 | P b a m | 9.1305; 8.4629; 6.5677 90; 90; 90 | 507.49 | Gavarri, J. R.; Weigel, D.; Hewat, A. W. Oxydes de plomb. IV. Evolution structurale de l'oxyde Pb3O4 entre 240 et 5 K et mecanisme de la transition Locality: synthetic Sample: T = 5 K Journal of Solid State Chemistry, 1978, 23, 327-339 |
| 9013447 | CIF | Ca2.24 F O12 P3 Pb2.76 | P 63/m | 9.759; 9.759; 7.291 90; 90; 120 | 601.351 | Miyake, M.; Ishigaki, K.; Suzuki, T. Structure refinements of Pb2+ ion-exchanged apatites by X-ray powder pattern-fitting Note: Sample FAp Locality: synthetic Note: apatite group Journal of Solid State Chemistry, 1986, 61, 230-235 |
| 9013448 | CIF | Ca1.04 Cl O12 P3 Pb3.96 | P 63/m | 9.99; 9.99; 7.276 90; 90; 120 | 628.86 | Miyake, M.; Ishigaki, K.; Suzuki, T. Structure refinements of Pb2+ ion-exchanged apatites by X-ray powder pattern-fitting Note: Sample ClAp Locality: synthetic Note: apatite group Journal of Solid State Chemistry, 1986, 61, 230-235 |
| 9013449 | CIF | Ca1.31 H O13 P3 Pb3.69 | P 63/m | 9.88; 9.88; 7.417 90; 90; 120 | 627.008 | Miyake, M.; Ishigaki, K.; Suzuki, T. Structure refinements of Pb2+ ion-exchanged apatites by X-ray powder pattern-fitting Note: Sample OHAp Locality: synthetic Note: apatite group Journal of Solid State Chemistry, 1986, 61, 230-235 |
| 9013450 | CIF | Cs Fe2 S3 | C m c m | 9.5193; 11.5826; 5.482 90; 90; 90 | 604.436 | 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 |
| 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 |
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