Crystallography Open Database

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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
9016368	CIF	H6 Mg O6 Si	P 21 21 21	5.173; 5.21; 7.371 90; 89.88; 90	198.658	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, GGA from P2_12_12_1 American Mineralogist, 2012, 97, 1043-1048
9016370	CIF	Al1.609 Fe0.389 Mg O4	F d -3 m :2	8.1478; 8.1478; 8.1478 90; 90; 90	540.905	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 650 C Annealing time = 765 min European Journal of Mineralogy, 2012, 24, 633-643
9016372	CIF	C2 H2 Al1.7 Ba2 Ca F0.66 O18 Si2.98 V1.323	C 1 2 1	5.205; 9.033; 32.077 90; 93.49; 90	1505.36	Liu, J.; Li, G.; Mao, Q.; Wu, S.; Liu, Z.; Su, S.; Xiong, M.; Yu, X. Hanjiangite, a new barium-vanadium phyllosilicate carbonate mineral, from the Shiti barium deposit in the Dabashan region, China Note: data is taken from the deposited cif, which unfortunately does not agree with the published tables. American Mineralogist, 2012, 97, 281-290
9016374	CIF	As2 Fe2 Sr	I 4/m m m	3.9243; 3.9243; 12.3644 90; 90; 90	190.413	Tegel, M.; Rotter, M.; Weiss, V.; Schappacher, F. M.; Pottgen, R.; Johrendt, D. Structural and magnetic phase transitions in the ternary iron arsenides SrFe2As2 and EuFe2As2 Note: T = 297 K Journal of Physics: Condensed Matter, 2008, 20, 452201_1-452201_5
9016375	CIF	Cl3.9 Cu18 H32.07 N0.66 O34.11 S0.18	P 63/m m c	15.739; 15.739; 9.127 90; 90; 120	1958	Hibbs, D. E.; Leverett, P.; Williams, P. A. A single crystal X-ray study of a sulphate-bearing buttgenbachite, Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2.5.2H2O, and a re-examination of the crystal chemistry of the buttgenbachite-connellite series Note: T = 288 K Mineralogical Magazine, 2003, 67, 47-60

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