Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9015042 | CIF | H14 O14 S Zn4 | P -3 | 8.33; 8.33; 10.54 90; 90; 120 | 633.375 | Groat, L. A. The crystal structure of namuwite, a mineral with Zn in tetrahedral and octahedral coordination, and its relationship to the synthetic basic zinc sulfates Note: U(1,2) for S has been changed to match symmetry constraints. American Mineralogist, 1996, 81, 238-243 |
| 9015045 | CIF | H2 O | R -3 :R | 7.78; 7.78; 7.78 113.1; 113.1; 113.1 | 304.25 | Kamb, B. Ice II: A proton-ordered form of ice Note: T = -75 C, P = 0.3 GPa Acta Crystallographica, 1964, 17, 1437-1449 |
| 9015046 | CIF | Ba O9 Si3 Ti | P -6 c 2 | 6.6031; 6.6031; 9.71 90; 90; 120 | 366.645 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 2.14 GPa American Mineralogist, 2012, 97, 1749-1763 |
| 9015048 | CIF | Ag4.5 Bi7.4 Pb0.6 S16 Sb1.5 | C 1 2/m 1 | 13.515; 4.098; 26 90; 93; 90 | 1438.02 | Ilinca, G.; Makovicky, E. Note on the definition of borodayevite [Ag5(Fe,Pb)Bi7]13(Sb,Bi)2S17 Note: This structure is based on a theoretical construct, (11P), and is probably not an good model for borodayevite Neues Jahrbuch fur Mineralogie, Monatshefte, 1997, 1997, 337-353 |
| 9015050 | CIF | Be O | P 63 m c | 2.705; 2.705; 4.3927 90; 90; 120 | 27.835 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 763 K Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9015051 | CIF | Al1.46 Fe0.537 Mg1.002 O4 | F d -3 m :2 | 8.1698; 8.1698; 8.1698 90; 90; 90 | 545.298 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 35,340 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015053 | CIF | Cu1.894 H8 O11 Pb1.934 S1.15 Se0.85 | P 1 21/m 1 | 9.802; 5.675; 9.281 90; 102.443; 90 | 504.141 | Kampf, A. R.; Mills, S. J.; Housley, R. M. The crystal structure of munakataite, Pb2Cu2(Se4+O3)(SO4)(OH)4, from Otto Mountain, San Bernardino County, California, USA Mineralogical Magazine, 2010, 74, 991-998 |
| 9015054 | CIF | Ca O3 Sn | P b n m | 5.4538; 5.6162; 7.8006 90; 90; 90 | 238.93 | Zhao, J.; Ross, N. L.; Angel, R. J. Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 5.18 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305 |
| 9015055 | CIF | Al3 H O13 Pb2 Si3 | P n m a | 16.4529; 5.6432; 10.3631 90; 90; 90 | 962.183 | Dorsam, G.; Liebscher, A.; Wunder, B.; Franz, G.; Gottschalk, M. Synthesis of Pb-zoisite and Pb-lawsonite Neues Jahrbuch fur Mineralogie, Abhandlungen, 2011, 188, 99-110 |
| 9015056 | CIF | C Fe O3 | R -3 c :H | 4.355; 4.355; 12.54 90; 90; 120 | 205.97 | 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 P25, P = 54.0 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015059 | CIF | Fe O2 | P 1 | 10.821; 6.002; 10.514 90; 92.6; 90 | 682.157 | Fernandez-Martinez A; Timon, V.; Roman-Ross G; Cuello, G. J.; Daniels, J. E.; Ayora, C. The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate Note: Model 1, positions of sulfate groups not determined American Mineralogist, 2010, 95, 1312-1322 |
| 9015061 | CIF | Al6.79 B O18 Si3 | P n m a | 4.6995; 11.779; 20.1671 90; 90; 90 | 1116.36 | Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A. The crystal chemistry of As- and Sb-bearing dumortierite Sample: D67 The Canadian Mineralogist, 2012, 50, 855-872 |
| 9015062 | CIF | Al2 As2 H18 Mg O18 | P -1 | 5.4363; 10.5; 7.075 97.701; 110.295; 102.021 | 360.987 | Meisser, N.; Brugger, J.; Krivovichev, S.; Armbruster, T.; Favreau, G. Description and crystal structure of maghrebite, MgAl2(AsO4)2(OH)2*8H2O, from Aghbar, Anti-Atlas, Morocco: first arsenate in the laueite mineral group European Journal of Mineralogy, 2012, 24, 717-726 |
| 9015063 | CIF | Ag0.29 As1.73 Pb2.956 S18 Sb7.794 Tl1.23 | P -1 | 8.0929; 8.761; 22.497 90.868; 97.247; 90.793 | 1581.96 | Orlandi, P.; Biagioni, C.; Bonaccorsi, E.; Moelo, Y.; Paar, W. H. Lead-antimony sulfosalts from Tuscany (Italy). XII. Boscardinite, TiPb4(Sb7As2)S9S18, a new mineral species from the Monte Arsiccio mine: Occurrence and crystal structure Monte Arsiccio, near Sant'Anna di Stazzema, Apuan Alps, Tuscany, Italy The Canadian Mineralogist, 2012, 50, 235-251 |
| 9015065 | CIF | Fe2 O3 | R -3 c :H | 5.0249; 5.0249; 13.7163 90; 90; 120 | 299.932 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 15.4 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9015066 | CIF | C Ca O3 | R -3 c :H | 4.9769; 4.9769; 17.3479 90; 90; 120 | 372.131 | Antao, S. M.; Hassan, I. Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 556 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015067 | CIF | Al21.6 B9 Ca0.06 F2.1 Fe2.727 H17.57 Li2.223 Mn0.27 Na2.49 O90.9 Si18 Zn0.18 | R 3 m :H | 15.9083; 15.9083; 7.1229 90; 90; 120 | 1561.11 | Bosi, F.; Andreozzi, G. B.; Skogby, H.; Lussier, A. J.; Abdu, Y.; Hawthorne, F. C. Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species of the tourmaline supergroup Note: standard SREF American Mineralogist, 2013, 98, 297-303 |
| 9015068 | CIF | Cu2 S | P 1 21/c 1 | 15.246; 11.884; 13.494 90; 116.35; 90 | 2190.86 | Evans, H. T. Crystal structure of low chalcocite Nature Physical Science, 1971, 232, 69-70 |
| 9015070 | CIF | Ba Cu2 Ge2 O7 | P n m a | 7.04765; 13.407; 7.02755 90; 90; 90 | 664.018 | Yamada, T.; Hiroi, Z.; Takano, M. Spin-1/2 quantum antiferromagnetic chains with tunable superexchange interactions found in BaCu2(Si1-xGex)2O7 Journal of Solid State Chemistry, 2001, 156, 101-109 |
| 9015073 | CIF | C Ca O3 | R -3 c :H | 4.9759; 4.9759; 17.4486 90; 90; 120 | 374.14 | Antao, S. M.; Hassan, I. Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 681 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
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