Crystallography Open Database

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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
9016721	CIF	Al7.872 B3 Ca0.01 F0.26 Fe3.258 H3.74 K0.01 Li0.06 Mg0.318 Mn0.222 Na0.61 O39.74 Si5.652 Ti0.24 Zn0.078	R 3 m :H	15.9783; 15.9783; 7.1507 90; 90; 120	1581.03	Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E. Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample MASR European Journal of Mineralogy, 2012, 24, 695-715
9016722	CIF	Al2 Ca H4 O10 Si2	P 1 21/m 1	5.178; 12.787; 5.634 90; 124.67; 90	306.798	Pawley, A. R.; Allan, D. R. A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN97, P = 16.5 GPa Mineralogical Magazine, 2001, 65, 41-58
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

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