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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
9015055	CIF	Al3 H O13 Pb2 Si3	P n m a	16.4529; 5.6432; 10.3631 90; 90; 90	962.183	Dorsam, G.; Liebscher, A.; Wunder, B.; Franz, G.; Gottschalk, M. Synthesis of Pb-zoisite and Pb-lawsonite Neues Jahrbuch fur Mineralogie, Abhandlungen, 2011, 188, 99-110
9015056	CIF	C Fe O3	R -3 c :H	4.355; 4.355; 12.54 90; 90; 120	205.97	Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P25, P = 54.0 GPa Physical Review B, 2010, 82, 064110-064118
9015059	CIF	Fe O2	P 1	10.821; 6.002; 10.514 90; 92.6; 90	682.157	Fernandez-Martinez A; Timon, V.; Roman-Ross G; Cuello, G. J.; Daniels, J. E.; Ayora, C. The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate Note: Model 1, positions of sulfate groups not determined American Mineralogist, 2010, 95, 1312-1322
9015061	CIF	Al6.79 B O18 Si3	P n m a	4.6995; 11.779; 20.1671 90; 90; 90	1116.36	Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A. The crystal chemistry of As- and Sb-bearing dumortierite Sample: D67 The Canadian Mineralogist, 2012, 50, 855-872
9015062	CIF	Al2 As2 H18 Mg O18	P -1	5.4363; 10.5; 7.075 97.701; 110.295; 102.021	360.987	Meisser, N.; Brugger, J.; Krivovichev, S.; Armbruster, T.; Favreau, G. Description and crystal structure of maghrebite, MgAl2(AsO4)2(OH)2*8H2O, from Aghbar, Anti-Atlas, Morocco: first arsenate in the laueite mineral group European Journal of Mineralogy, 2012, 24, 717-726
9015063	CIF	Ag0.29 As1.73 Pb2.956 S18 Sb7.794 Tl1.23	P -1	8.0929; 8.761; 22.497 90.868; 97.247; 90.793	1581.96	Orlandi, P.; Biagioni, C.; Bonaccorsi, E.; Moelo, Y.; Paar, W. H. Lead-antimony sulfosalts from Tuscany (Italy). XII. Boscardinite, TiPb4(Sb7As2)S9S18, a new mineral species from the Monte Arsiccio mine: Occurrence and crystal structure Monte Arsiccio, near Sant'Anna di Stazzema, Apuan Alps, Tuscany, Italy The Canadian Mineralogist, 2012, 50, 235-251
9015065	CIF	Fe2 O3	R -3 c :H	5.0249; 5.0249; 13.7163 90; 90; 120	299.932	Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 15.4 kbar Journal of Applied Physics, 1980, 51, 5362-5367
9015066	CIF	C Ca O3	R -3 c :H	4.9769; 4.9769; 17.3479 90; 90; 120	372.131	Antao, S. M.; Hassan, I. Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 556 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236
9015067	CIF	Al21.6 B9 Ca0.06 F2.1 Fe2.727 H17.57 Li2.223 Mn0.27 Na2.49 O90.9 Si18 Zn0.18	R 3 m :H	15.9083; 15.9083; 7.1229 90; 90; 120	1561.11	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: standard SREF American Mineralogist, 2013, 98, 297-303
9015068	CIF	Cu2 S	P 1 21/c 1	15.246; 11.884; 13.494 90; 116.35; 90	2190.86	Evans, H. T. Crystal structure of low chalcocite Nature Physical Science, 1971, 232, 69-70
9015070	CIF	Ba Cu2 Ge2 O7	P n m a	7.04765; 13.407; 7.02755 90; 90; 90	664.018	Yamada, T.; Hiroi, Z.; Takano, M. Spin-1/2 quantum antiferromagnetic chains with tunable superexchange interactions found in BaCu2(Si1-xGex)2O7 Journal of Solid State Chemistry, 2001, 156, 101-109
9015073	CIF	C Ca O3	R -3 c :H	4.9759; 4.9759; 17.4486 90; 90; 120	374.14	Antao, S. M.; Hassan, I. Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 681 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236
9015074	CIF	Mg Mn O4 Si	P n m a	10.451; 6.12446; 4.80757 90; 90; 90	307.717	Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo Journal of Applied Crystallography, 1999, 32, 51-59
9015075	CIF	C Fe O3	R -3 c :H	4.548; 4.548; 13.89 90; 90; 120	248.813	Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P9, P = 28.62 GPa Physical Review B, 2010, 82, 064110-064118
9015076	CIF	Fe Se	P 63 m c	3.636; 3.636; 5.946 90; 90; 120	68.077	Franz, E. D. Rontgenographische Daten der Mischphasen im System Pyrit (FeS2) - Ferroselit (FeSe2)/Pyrrhotin (FeS) - Achavalit (FeSe) Neues Jahrbuch fur Mineralogie, Monatshefte, 1972, 1972, 276-280
9015077	CIF	Al0.02 Ba3.92 Ca0.1 Fe0.17 Mg0.15 Mn0.38 Na2.16 Nb0.02 O26 P0.8 S1.02 Si4 Sr0.08 Ti2.96	P 1 2/c 1	5.4206; 7.125; 29.314 90; 94.698; 90	1128.35	Sokolova, E.; Camara, F.; Hawthorne, F. C. From structure topology to chemical composition. XI. Titanium silicates: crystal structures of innelite-1T and innelite-2M from the Inagli massif, Yakutia, Russia, and the crystal chemistry of innelite Note: this is the polytype innelite-2M Mineralogical Magazine, 2011, 75, 2495-2518
9015079	CIF	Ba0.193 Cu O10 Si4 Sr0.807	P 4/n c c :2	7.3752; 7.3752; 15.6902 90; 90; 90	853.446	Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .193 European Journal of Mineralogy, 2010, 22, 411-423
9015080	CIF	Fe0.54 K Li Mn1.46 Na2 O24 Si8 Ti2	C 1 2/c 1	16.41; 12.55; 10.03 90; 115.5; 90	1864.41	Borisov, S. V.; Klevtsova, R. F.; Bakakin, V. V.; Belov, N. V. The crystal structure of neptunite Soviet Physics Crystallography, 1966, 10, 684-689
9015081	CIF	C13 H10	P n a m	8.49; 5.721; 18.97 90; 90; 90	921.397	Burns, D. M.; Iball, J. The crystal and molecular structure of fluorene Note: Positions of hydrogen atoms were not given Proceedings of the Royal Society of London A, 1955, 227, 200-214
9015083	CIF	Mg W	P 1 2/c 1	4.68; 5.66; 4.92 90; 89.67; 90	130.323	Broch, E. Untersuchungen ueber Kristallstrukturen des Wolframittypus und des Scheelittypus _cod_database_code 1010642 Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo, 1929, 1, 1-618

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