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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
9015102	CIF	Al6.63 B3 Ca0.29 H3.75 K0.02 Mg2.37 Na0.6 O31 Si6	R 3 m :H	15.923; 15.923; 7.201 90; 90; 120	1581.15	Schmetzer, K.; Nuber, B.; Abraham, K. Zur Kristallchemie Magnesium-reicher Turmaline Neues Jahrbuch fur Mineralogie, Abhandlungen, 1979, 136, 93-112
9015104	CIF	Fe5 Si3	P 63/m c m	6.7277; 6.7277; 4.695 90; 90; 120	184.035	Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A. Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 3.6 GPa Solid State Sciences, 2004, 6, 673-678
9015105	CIF	Fe	F m -3 m	3.498; 3.498; 3.498 90; 90; 90	42.802	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 M605, P = 21.57 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420
9015106	CIF	Fe6 H17 O27 P4	C 1 2/c 1	20.953; 5.171; 19.266 90; 93.34; 90	2083.89	Moore, P. B.; Kampf, A. R. Beraunite: Refinement, comparative crystal chemistry, and selected bond valences Zeitschrift fur Kristallographie, 1992, 201, 263-281
9015108	CIF	Cl H12	F m -3 m	5.482; 5.482; 5.482 90; 90; 90	164.747	Niimura, N.; Shimaoka, K.; Motegi, H.; Hoshino, S. Crystal structure and phase transition of hydrogen chloride Note: this phase is stable above 120 K Note: T = 135 K Journal of the Physical Society of Japan, 1972, 32, 1019-1026
9015109	CIF	Al1.462 Fe0.538 Mg1.001 O4	F d -3 m :2	8.1706; 8.1706; 8.1706 90; 90; 90	545.459	Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 15 min European Journal of Mineralogy, 2012, 24, 633-643
9015110	CIF	Fe3 Si	F m -3 m	5.655; 5.655; 5.655 90; 90; 90	180.841	Farquhar, M. C. M.; Lipson, H.; Weill, A. R. An X-ray study of iron-rich iron-silicon alloys Journal of the Iron and Steel Institute, 1945, 152, 457-472
9015111	CIF	Cl Fe2 H3 O12 Te4	P -1	5.1129; 6.6481; 9.0079 73.347; 78.053; 76.709	282.2	Kampf, A. R.; Mills, S. J. The role of hydrogen in tellurites: crystal structure refinements of juabite, poughite and rodalquilarite Journal of Geosciences, 2011, 56, 235-247
9015113	CIF	Al0.08 Ca0.96 F0.16 Fe6.55 H12.38 K0.14 Mg0.14 Mn0.35 Na0.12 Nb0.06 O34.64 Si7.92 Ti1.86 Zr0.04	P -1	5.329; 11.803; 11.822 101.14; 98.224; 102.442	699.079	Khomyakov, A. P.; Cámara F; Sokolova, E.; Abdu, Y.; Hawthorne, F. C. Sveinbergeite, Ca(Fe2+6Fe3+)Ti2(Si4O12)2O2(OH)5(H2O)4, a new astrophyllite-group mineral from the Larvik Plutonic Complex, Oslo Region, Norway: description and crystal structure Mineralogical Magazine, 2011, 75, 2687-2702
9015115	CIF	B Ca H O5 Si	P 1 21/c 1	4.8332; 7.6082; 9.6342 90; 90.147; 90	354.267	Rinaldi, R.; Gatta, G. D.; Angel, R. J. Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study American Mineralogist, 2010, 95, 1413-1421
9015116	CIF	Ca3.7 Ce0.9 F3.5 Na2.4 O14.5 Si4 Ti	P 21 1 1	5.679; 7.412; 18.836 101.26; 90; 90	777.597	Rastsvetaeva, R. K.; Borutskii, B. E.; Shlyukova, Z. V. Crystal structure of Hibbing rinkite Soviet Physics Crystallography, 1991, 36, 349-351
9015117	CIF	O0.984 Y0.065 Zr0.935	P 42/n m c	3.6055; 3.6055; 5.1797 90; 90; 90	67.334	Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Acta Crystallographica, Section B, 1988, 44, 116-120
9015118	CIF	Al Fe3 H36 O42 S6	P -3 1 c	10.917; 10.917; 17.0829 90; 90; 120	1763.19	Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I. Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals The Canadian Mineralogist, 2010, 48, 323-333
9015119	CIF	N4 O14 P2 Te	P -1	11.51; 6.484; 6.329 118.15; 105.8; 84.36	400.48	Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C. Structures de deux phosphotellurates. Te(OH)6((NH4)2HPO4)2 and Te(OH)6(Na2HPO4)(H2O) Acta Crystallographica, Section B, 1979, 35, 1444-1447
9015122	CIF	Bi2 Pb3 S6	B b m m	13.535; 20.451; 4.104 90; 90; 90	1136.01	Takagi, J.; Takeuchi, Y. The crystal structure of lillianite Acta Crystallographica, Section B, 1972, 28, 649-651
9015123	CIF	Ir Sb3	I m -3	9.2533; 9.2533; 9.2533 90; 90; 90	792.3	Kjekshus, A.; Rakke, T. Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides, Acta Chemica Scandinavica A, 1974, 28, 99-103
9015124	CIF	Ca1.784 Fe1.72 K0.1 Mg3.494 Na1.058 O24 Si8	C 1 2/m 1	9.8165; 18.0126; 5.3002 90; 105.38; 90	903.623	Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S. The effect of oxo-component on the high-pressure behavior of amphiboles Sample: FR12 P = 0.0001 GPa American Mineralogist, 2010, 95, 1042-1051
9015125	CIF	O7 Si2 Sr V	A m a m	7.06; 14.64; 5.33 90; 90; 90	550.9	Takeuchi, Y.; Joswig, W. The structure of haradaite and a note on the Si-O bond lengths in silicates Mineralogical Journal, 1967, 5, 98-123
9015126	CIF	Al2 Cu O4	F d -3 m :2	8.0793; 8.0793; 8.0793 90; 90; 90	527.377	Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl100h American Mineralogist, 2012, 97, 1821-1827
9015127	CIF	Cu3 O8 V2	P 1 21/c 1	6.2493; 7.9936; 6.3776 90; 111.49; 90	296.441	Shannon, R. D.; Calvo, C. Crystal structure of a new form of Cu3V2O8 Canadian Journal of Chemistry, 1972, 50, 3944-3949

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