Crystallography Open Database

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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
9016723	CIF	H6 Mg O6 Si	P 1 21 1	4.958; 5.056; 7.14 90; 89.87; 90	178.983	Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S. The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, LDA from Pnam American Mineralogist, 2012, 97, 1043-1048
9016724	CIF	B4.5 Ba2 H31.44 Na7.2 O144.72 Si40.5 Sr10.8 Zr13	P -3 c 1	26.509; 26.509; 9.975 90; 90; 120	6070.58	McDonald, A. M.; Chao, G. Y. Rogermitchellite, Na12(Sr,Na)24Ba4Zr26Si78(B,Si)12O246(OH)24·18H2O, a new mineral species from Mont Saint-Hilaire, Quebec: Description, structure determination and relationship with HFSE-bearing cyclosilicates The Canadian Mineralogist, 2010, 48, 267-278
9016726	CIF	Cl2 Fe	R -3 m :H	3.589; 3.589; 17.26 90; 90; 120	192.539	Vettier, C.; Yelon, W. B. The structure of FeCl2 at high pressures Note: P = 5.70 kbar Journal of Physics and Chemistry of Solids, 1975, 36, 401-405
9016727	CIF	Ag1.049 Mn0.901 Pb3 S12 Sb5.049	P 1 21/n 1	19.3645; 12.7287; 8.7571 90; 90.059; 90	2158.49	Yang, H.; Downs, R. T.; Evans, S. H.; Feinglos, M. N.; Tait, K. T. Crystal structure of uchucchacuaite, AgMnPb3Sb5S12, and its relationship with ramdohrite and fizelyite Note: Sample ID R100213 American Mineralogist, 2011, 96, 1186-1189
9016728	CIF	Cr2 O3	R -3 c :H	4.957; 4.957; 13.5923 90; 90; 120	289.242	Sawada, H. Residual electron density study of chromium sesquioxide by crystal structure and scattering factor refinement Note: atomic scattering factor refinement Materials Research Bulletin, 1994, 29, 239-245

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