Crystallography Open Database

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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
9016478	CIF	Al7.149 B3 Ca0.06 F0.759 Fe0.459 H3.24 K0.01 Li1.02 Mn0.279 Na0.78 O30.24 Si6 Zn0.03	R 3 m :H	15.8933; 15.8933; 7.1222 90; 90; 120	1558.02	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: split-site SREF American Mineralogist, 2013, 98, 297-303
9016479	CIF	Al H Li O5 P	P -1	5.18; 7.15; 5.004 112.12; 97.8; 67.88	159.051	Baur, W. H. Die Kristallstruktur des Edelamblygonits LiAlPO4(OH,F) Acta Crystallographica, 1959, 12, 988-994
9016480	CIF	Fe	F m -3 m	3.519; 3.519; 3.519 90; 90; 90	43.577	Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 15.37 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420
9016482	CIF	C H30 Ca3 O25 S Si	P 63	11.0545; 11.0545; 10.4131 90; 90; 120	1102.02	Gatta, G. D.; McIntyre, G. J.; Swanson, J. G.; Jacobsen, S. D. Minerals in cement chemistry: A single-crystal neutron diffraction and Raman spectroscopic study of thaumasite, Ca3Si(OH)6(CO3)(SO4)12H2O Note: T = 301 K American Mineralogist, 2012*, 97, 1060-1069
9016484	CIF	Al K0.98 O4 Si	P 3 1 c	5.1589; 5.1589; 8.7438 90; 90; 120	201.532	Gatta, G. D.; Angel, R. J.; Carpenter, M. A. Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 175 K American Mineralogist, 2010, 95, 1027-1034

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