Crystallography Open Database
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Displaying all data in COD
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9015074 | CIF | Mg Mn O4 Si | P n m a | 10.451; 6.12446; 4.80757 90; 90; 90 | 307.717 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9015075 | CIF | C Fe O3 | R -3 c :H | 4.548; 4.548; 13.89 90; 90; 120 | 248.813 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P9, P = 28.62 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015076 | CIF | Fe Se | P 63 m c | 3.636; 3.636; 5.946 90; 90; 120 | 68.077 | Franz, E. D. Rontgenographische Daten der Mischphasen im System Pyrit (FeS2) - Ferroselit (FeSe2)/Pyrrhotin (FeS) - Achavalit (FeSe) Neues Jahrbuch fur Mineralogie, Monatshefte, 1972, 1972, 276-280 |
| 9015077 | CIF | Al0.02 Ba3.92 Ca0.1 Fe0.17 Mg0.15 Mn0.38 Na2.16 Nb0.02 O26 P0.8 S1.02 Si4 Sr0.08 Ti2.96 | P 1 2/c 1 | 5.4206; 7.125; 29.314 90; 94.698; 90 | 1128.35 | Sokolova, E.; Camara, F.; Hawthorne, F. C. From structure topology to chemical composition. XI. Titanium silicates: crystal structures of innelite-1T and innelite-2M from the Inagli massif, Yakutia, Russia, and the crystal chemistry of innelite Note: this is the polytype innelite-2M Mineralogical Magazine, 2011, 75, 2495-2518 |
| 9015079 | CIF | Ba0.193 Cu O10 Si4 Sr0.807 | P 4/n c c :2 | 7.3752; 7.3752; 15.6902 90; 90; 90 | 853.446 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .193 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9015080 | CIF | Fe0.54 K Li Mn1.46 Na2 O24 Si8 Ti2 | C 1 2/c 1 | 16.41; 12.55; 10.03 90; 115.5; 90 | 1864.41 | Borisov, S. V.; Klevtsova, R. F.; Bakakin, V. V.; Belov, N. V. The crystal structure of neptunite Soviet Physics Crystallography, 1966, 10, 684-689 |
| 9015081 | CIF | C13 H10 | P n a m | 8.49; 5.721; 18.97 90; 90; 90 | 921.397 | Burns, D. M.; Iball, J. The crystal and molecular structure of fluorene Note: Positions of hydrogen atoms were not given Proceedings of the Royal Society of London A, 1955, 227, 200-214 |
| 9015083 | CIF | Mg W | P 1 2/c 1 | 4.68; 5.66; 4.92 90; 89.67; 90 | 130.323 | Broch, E. Untersuchungen ueber Kristallstrukturen des Wolframittypus und des Scheelittypus _cod_database_code 1010642 Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo, 1929, 1, 1-618 |
| 9015084 | CIF | Al2 Ca6 H64 O50 S3 | P 3 1 c | 11.229; 11.229; 21.478 90; 90; 120 | 2345.34 | Goetz-Neunhoeffer F; Neubauer, J. Refined ettringite (Ca6Al2(SO4)3(OH)12*26H2O) structure for quantitative X-ray diffraction analysis Powder Diffraction, 2006, 21, 4-11 |
| 9015085 | CIF | Al1.356 Be3 Fe0.384 H10.944 Mg0.258 Na0.425 O18.912 Si6 | P 6/m c c | 9.2909; 9.2909; 9.1996 90; 90; 120 | 687.726 | Groat, L. A.; Rossman, G. R.; Dyar, M. D.; Turner, D.; Piccoli, P. M. B.; Schultz, A. J.; Ottolini, L. Crystal chemistry of dark blue aquamarine from the True Blue showing, Yukon Territory, Canada Note: X-ray The Canadian Mineralogist, 2010, 48, 597-613 |
| 9015086 | CIF | Al0.78 Ca1.5 H54.64 O45.32 P3 V5.22 | I -4 3 m | 15.441; 15.441; 15.441 90; 90; 90 | 3681.51 | Kampf, A. R.; Nash, B. P.; Loomis, T. A. Phosphovanadylite-Ca, Ca[V44+P2O8(OH)8]*12H2O, the Ca analogue of phosphovanadylite-Ba American Mineralogist, 2013, 98, 439-443 |
| 9015087 | CIF | O2 Si | P 41 21 2 | 4.9501; 4.9501; 6.9259 90; 90; 90 | 169.709 | Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T. New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 0.2 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9015088 | CIF | Al H0.08 O2 | A m a m | 3.693; 12.221; 2.865 90; 90; 90 | 129.304 | Hill, R. J. Hydrogen atoms in boehmite: A single crystal X-ray diffraction and molecular orbital study Clays and Clay Minerals, 1981, 29, 435-445 |
| 9015090 | CIF | Al7.53 B3.18 Ca0.03 F0.63 Fe0.03 H3.33 Li1.02 Mn0.39 Na0.66 O30.36 Si5.82 | R 3 m :H | 15.846; 15.846; 7.119 90; 90; 120 | 1548.06 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Elbaite 55224 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9015091 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4/n c c :2 | 7.39428; 7.39428; 15.8573 90; 90; 90 | 867.004 | Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 250 K European Journal of Mineralogy, 2007, 19, 189-200 |
| 9015092 | CIF | As2 Fe0.37 Ni0.63 | P n n m | 5.3971; 6.1893; 2.9539 90; 90; 90 | 98.673 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9015095 | CIF | As3 Rh | I m -3 | 8.4507; 8.4507; 8.4507 90; 90; 90 | 603.501 | Kjekshus, A.; Rakke, T. Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides, Acta Chemica Scandinavica A, 1974, 28, 99-103 |
| 9015096 | CIF | Al2.925 H6.147 K0.876 Na0.071 O14.049 S2 | R -3 m :H | 6.9771; 6.9771; 17.36 90; 90; 120 | 731.864 | Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P. Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 100 C Mineralogical Magazine, 2012, 76, 613-623 |
| 9015097 | CIF | Bi2.5 Cu Pb2.5 S7 | P b m n | 14.387; 21.011; 4.046 90; 90; 90 | 1223.05 | Kohatsu, I.; Wuensch, B. J. The crystal structure of nuffieldite, Pb2Cu(Pb,Bi)Bi2S7 Zeitschrift fur Kristallographie, 1973, 138, 343-365 |
| 9015099 | CIF | Ca10 O24 P6 Se | P -3 | 9.5007; 9.5007; 6.8406 90; 90; 120 | 534.732 | Henning, P. A.; Adolfsson, E.; Grins, J. The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se Zeitschrift fur Kristallographie, 2000, 215, 226-230 |
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