Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9015182 | CIF | Cu29 S16 | P -1 | 13.409; 13.4051; 15.4852 90.022; 90.021; 90.02 | 2783.45 | Mumme, W. G.; Gable, R. W.; Petricek, V. The crystal structure of roxbyite, Cu58S32 The Canadian Mineralogist, 2012, 50, 423-430 |
| 9015183 | CIF | Al1.61 Fe0.388 Mg O4 | F d -3 m :2 | 8.1477; 8.1477; 8.1477 90; 90; 90 | 540.885 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 1680 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015184 | CIF | Ba0.402 Cu O10 Si4 Sr0.598 | P 4/n c c :2 | 7.38801; 7.38801; 15.8265 90; 90; 90 | 863.853 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .402 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9015185 | CIF | Fe8 O17 | 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 2, positions of sulfate groups not determined American Mineralogist, 2010, 95, 1312-1322 |
| 9015188 | CIF | Al7.308 B3 Ca0.691 F0.678 Fe0.054 H3.321 Li1.611 Mg0.003 Mn0.024 Na0.234 O30.321 Pb0.006 Si6 Ti0.003 | R 3 m :H | 15.8303; 15.8303; 7.1017 90; 90; 120 | 1541.24 | Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L20, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015189 | CIF | Hg2 I O | C 1 2/c 1 | 17.603; 6.981; 6.701 90; 101.61; 90 | 806.615 | Stalhandske, C.; Aurivillius, K.; Bertinsson, G. I. Structure of mercury(I,II) iodide oxide, Hg2OI Acta Crystallographica, Section C, 1985, 41, 167-168 |
| 9015191 | CIF | Be O | P 63 m c | 2.6983; 2.6983; 4.3776 90; 90; 120 | 27.602 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: Crystal no. 2 in cell Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9015192 | 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 = 1 Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9015194 | CIF | Ba O9 Si3 Ti | P -6 c 2 | 6.5518; 6.5518; 9.6503 90; 90; 120 | 358.751 | 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 = 4.28 GPa American Mineralogist, 2012, 97, 1749-1763 |
| 9015195 | CIF | As Cu1.45 Fe0.55 O5 | P n n m | 8.6235; 8.2757; 5.9501 90; 90; 90 | 424.632 | Mills, S. J.; Kampf, A. R.; Poirier, G.; Raudsepp, M.; Steele, I. M. Auriacusite, Fe3+Cu2+AsO4O, the first M3+ member of the olivenite group, from the Black Pine mine, Montana, USA Mineralogy and Petrology, 2010, 99, 113-120 |
| 9015197 | CIF | Al2.21 Ca2 Fe0.58 H Mn0.21 O13 Si3 | P 1 21/m 1 | 8.898; 5.6549; 10.1752 90; 115.428; 90 | 462.39 | Nagashima, M.; Akasada, M. X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=0.75, run 27 American Mineralogist, 2010, 95, 1237-1246 |
| 9015198 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.514; 12.514; 5.034 90; 90; 120 | 682.71 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 1.39 GPa American Mineralogist, 2012, 97, 872-882 |
| 9015199 | CIF | Cl2 F12 Pb7 | P -6 | 10.267; 10.267; 3.9844 90; 90; 120 | 363.731 | Merlino, S.; Pasero, M.; Perchiazzi, N.; Kampf, A. R. Laurelite: Its crystal structure and relationship to alpha-PbF2 Note: Re-examination of the crystal by H Yang and A Kampf showed that it was twinned, and the partially occupied sites were relicts. American Mineralogist, 1996, 81, 1277-1281 |
| 9015201 | CIF | Bi2 Pb Se4 | R -3 m :H | 4.16; 4.16; 39.2 90; 90; 120 | 587.494 | Agaev, K. A.; Semiletov, S. A. Electron diffraction study of the structure of PbBi2Se4 Kristallografiya, 1968, 13, 258-260 |
| 9015202 | CIF | Al1.609 Fe0.388 Mg1.001 O4 | F d -3 m :2 | 8.1476; 8.1476; 8.1476 90; 90; 90 | 540.865 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 15 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015204 | CIF | Al6.516 B3 Ca0.156 Cr0.009 F0.06 Fe1.026 H3.094 K0.015 Mg1.359 Mn0.006 Na0.348 O30.94 Si6 Ti0.069 V0.006 | R 3 m :H | 15.935; 15.935; 7.16 90; 90; 120 | 1574.52 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample O-T16-92 American Mineralogist, 1999, 84, 922-928 |
| 9015206 | CIF | Cu1.95 Se | F m -3 m | 5.787; 5.787; 5.787 90; 90; 90 | 193.803 | Yamamoto, K.; Kashida, S. X-ray study of the average structures of Cu2Se and Cu1.8S in the room temperature and the high temperature phases Note: Sample: Cu2Se (high) Model 2, T = 433 K Journal of Solid State Chemistry, 1991, 93, 202-211 |
| 9015207 | CIF | Fe Ge3 H4 O10 Pb | P 1 21/m 1 | 5.8279; 13.615; 6.3097 90; 127.314; 90 | 398.184 | Origlieri, M. J.; Yang, H.; Downs, R. T.; Posner, E. S.; Domanik, K. J.; Pinch, W. W. The crystal structure of bartelkeite, with a revised chemical formula, PbFeGeVI(GeIV2O7)(OH)2*H2O, isotypic with high-pressure P21/m lawsonite American Mineralogist, 2012, 97, 1812-1815 |
| 9015208 | CIF | H2 O | P 63/m m c | 4.497479; 4.497479; 7.322382 90; 90; 120 | 128.269 | Fortes, A. D.; Wood, I. G.; Grigoriev, D.; Alfredsson, M.; Kipfstuhl, S.; Knight, K. S.; Smith, R. I. No evidence for large-scale proton ordering in Antarctic ice from powder neutron diffraction Note: T = 100 K Note: known as ice-IH Journal of Chemical Physics, 2004, 120, 11376-11379 |
| 9015211 | CIF | Al7.23 B3 Ca0.06 F0.54 Fe0.42 H3.46 Li1.02 Mg0.06 Mn0.18 Na0.73 O30.46 Si6 | R 3 m :H | 15.856; 15.856; 7.1079 90; 90; 120 | 1547.6 | Diego Gatta, G.; Danisi, R. M.; Adamo, I.; Meven, M.; Diella, V. A single-crystal neutron and X-ray diffraction study of elbaite Note: X-ray data Physics and Chemistry of Minerals, 2012, 39, 577-588 |
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