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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
9015472	CIF	H12 O21.5 Pb5 S0.5 Te3	C 2 2 21	9.6581; 19.5833; 10.5027 90; 90; 90	1986.45	Kampf, A. R.; Mills, S. J.; Housley, R. M.; Rumsey, M. S.; Spratt, J. Lead-tellurium oxysalts from Otto Mountain near Baker, California: VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5, the chromate analog of schieffelinite American Mineralogist, 2012, 97, 212-219
9015471	CIF	H28 K Mg2 Na O22 P2	P m n b	6.9349; 25.1737; 11.2195 90; 90; 90	1958.67	Yang, H.; Sun, H. J.; Downs, R. T. Hazenite, KNaMg2(PO4)2*14H2O, a new biologically related phosphate mineral, from Mono Lake, California, U.S.A. American Mineralogist, 2011, 96, 675-681
9015470	CIF	Al1.61 Fe0.39 Mg O4	F d -3 m :2	8.1469; 8.1469; 8.1469 90; 90; 90	540.726	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 750 C Annealing time = 3 min European Journal of Mineralogy, 2012, 24, 633-643
9015469	CIF	Al Na O6 Si2	I 1 2/a 1	13.7249; 13.527; 13.6938 90; 90.18; 90	2542.33	Likhachieva, A. Y.; Rashchenko, S. V.; Seryotkin, Y. V. The deformation mechanism of a pressure-induced phase transition in dehydrated analcime Note: dehydrated, P = 0 GPa Mineralogical Magazine, 2012, 76, 129-142
9015468	CIF	C0.45 Al3 Ca1.246 Cl K0.366 Na2.388 O13.95 S0.15 Si3	P 63	12.695; 12.695; 5.325 90; 90; 120	743.217	Chukanov, N. V.; Zubkova, N. V.; Pekov, I. V.; Olysych, L. V.; Bonaccorsi, E.; Pushcharovsky, D. Y. Balliranoite, (Na,K)6Ca2(Si6Al6O24)Cl2(CO3), a new cancrinite-group mineral from Monte Somma - Vesuvio volcanic complex, Italy European Journal of Mineralogy, 2010, 22, 113-119
9015466	CIF	Al Ca1.168 F2 Fe12.26 K0.908 Mg2.52 Na3.152 O48 P11.916	C 1 2/c 1	16.506; 10.036; 24.723 90; 105.67; 90	3943.25	Steele, I. M. Arrojadite: variations in space group and composition based on four new refinements Sample: arronpc General Meeting of the International Mineralogical Association, 2002, 18, MO2-117
9015465	CIF	As S	P 1 21/n 1	9.003; 12.919; 6.318 90; 106.87; 90	703.221	Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 2.14 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412
9015462	CIF	Ho O6 Ta Ti	P b c n	14.6236; 5.5637; 5.203 90; 90; 90	423.323	Thorogood, G. J.; Avdeev, M.; Kennedy, B. J. Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide Solid State Sciences, 2010, 12, 1263-1269
9015461	CIF	As8 Ca4.362 F14 Fe2.032 Li1.42 Mg10.968 Na1.218 O24	R -3 m :H	10.2114; 10.2114; 25.689 90; 90; 120	2319.79	Yang, Z.; Giester, G.; Ding, K.; Tillmanns, E. Crystal structure of nanlingite - the first mineral with a [Fe(AsO3)6] configuration European Journal of Mineralogy, 2011, 23, 63-71
9015460	CIF	C Ca O3	R -3 c :H	4.9742; 4.9742; 17.4676 90; 90; 120	374.292	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 = 702 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236
9015456	CIF	Al8.217 B3.402 Ca0.023 Cl0.001 F0.161 Fe0.042 H3.832 Li0.63 Mn0.087 Na0.541 O30.838 Si5.454	R 3 m :H	15.792; 15.792; 7.0878 90; 90; 120	1530.79	Schreyer, W.; Hughes, J. M.; Bernhardt, H. J.; Kalt, A.; Prowatke, S.; Ertl, A. Reexamination of olenite from the type locality: detection of boron in tetrahedral coordination Note: z-coordinate for AlY and y-coordinate for H were altered by Hughes, Aug 2003 European Journal of Mineralogy, 2002, 14, 935-942
9015455	CIF	Ca0.105 Fe0.075 H4 K0.025 Mg0.035 Mn0.165 Na1.645 Nb0.255 O11 Si2 Ti1.605 Zr0.005	P -1	5.3875; 7.0579; 12.176 93.511; 107.943; 90.093	439.538	Camara, F.; Sokolova, E.; Hawthorne, F. C.; Abdu, Y. From structure topology to chemical composition. IX. Titanium silicates: revision of the crystal chemistry of lomonosovite and murmanite, Group-IV minerals Mineralogical Magazine, 2008, 72, 1207-1228
9015454	CIF	Al2 Mg3 O12 Si3	I a -3 d	11.496; 11.496; 11.496 90; 90; 90	1519.29	Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 672.9 K American Mineralogist, 2011, 96, 1593-1605
9015453	CIF	Ca2.92 Ce0.54 F2.76 Gd0.04 La0.24 Na2.9 Nb0.75 Nd0.18 O15.24 Pr0.06 Si4 Sm0.04 Sr0.04 Ta0.01 Ti0.24 Y0.04	P 1 21/c 1	7.468; 5.689; 18.891 90; 101.37; 90	786.841	Sokolova, E.; Hawthorne, F. C. From structure topology to chemical composition. V. Titanium silicates: The crystal chemistry of nacareniobsite-(Ce) The Canadian Mineralogist, 2008, 46, 1333-1342
9015452	CIF	Al0.02 Ba3.92 Ca0.1 Fe0.18 Mg0.14 Mn0.38 Na2.16 Nb0.02 O26 P0.82 S1.02 Si4 Sr0.08 Ti2.96	P -1	5.4234; 7.131; 14.785 98.442; 94.579; 90.009	563.757	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-1T Mineralogical Magazine, 2011, 75, 2495-2518
9015450	CIF	As0.54 H8 Mn6.72 O16 V1.46	P 1 21/n 1	5.5038; 12.2665; 10.1055 90; 95.559; 90	679.038	Brugger, J.; Elliott, P.; Meisser, N.; Ansermet, S. Argandite, Mn7(VO4)2(OH)8, the V analogue of allactite from the metamorphosed Mn ores at Pipji, Turtmann Valley, Switzerland American Mineralogist, 2011, 96, 1894-1900
9015449	CIF	Al1.61 Fe0.39 Mg1.002 O4	F d -3 m :2	8.1479; 8.1479; 8.1479 90; 90; 90	540.925	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 750 C Annealing time = 30 min European Journal of Mineralogy, 2012, 24, 633-643
9015448	CIF	C Ca O3	P m c n	4.9635; 8.0024; 5.776 90; 90; 90	229.422	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 = 197 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236
9015447	CIF	Li P	P 1 21/c 1	5.582; 4.94; 10.255 90; 118.15; 90	249.334	Honle, W.; Schnering, H. G. Zur Struktur von LiP und KSb Zeitschrift fur Kristallographie, 1981, 155, 307-314
9015445	CIF	Fe	F m -3 m	3.557; 3.557; 3.557 90; 90; 90	45.004	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 = 11.66 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420
9015443	CIF	Al0.474 Ca3 Fe1.746 Hf0.016 Nb0.038 O12 Sc0.018 Si0.51 Sn0.192 Ti0.426 U0.212 Zr1.356	I a -3 d	12.5965; 12.5965; 12.5965 90; 90; 90	1998.71	Galuskina, I. O.; Galuskin, E. V.; Armbruster, T.; Lazic, B.; Kusz, J.; Dzierzanowski, P.; Gazeev, V. M.; Pertsev, N. N.; Prusik, K.; Zadov, A. E.; Winiarski, A.; Wrzalik, R.; Gurbanov, A. G. Elbrusite-(Zr) - A new uranian garnet from the Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia American Mineralogist, 2010, 95, 1172-1181
9015442	CIF	Cr2 O3	R -3 c :H	4.674; 4.674; 12.941 90; 90; 120	244.836	Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 55.1 GPa American Mineralogist, 2012, 97, 1764-1770
9015441	CIF	N O6 P V	P b c a	6.8064; 9.2567; 17.732 90; 90; 90	1117.2	Amoros, P.; Beltran-Porter D; Le Bail, A.; Ferey, G.; Villeneuve, G. Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved from X-ray powder diffraction _cod_database_code 1000080 European Journal of Solid State and Inorganic Chemistry, 1988, 25, 599-607
9015438	CIF	Ag0.014 Bi4 Cu0.132 Pb3.904 S10	P n m a	23.87; 4.0647; 19.13 90; 90; 90	1856.08	Topa, D.; Makovicky, E. The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 1 The Canadian Mineralogist, 2010, 48, 1081-1107
9015437	CIF	Al8.435 Fe0.83 H O15 Sn Zn0.36	P -3 m 1	5.717; 5.717; 13.8 90; 90; 120	390.612	Arakcheeva, A. V.; Pushcharovskii, D. Y.; Rastsvetaeva, R. K.; Kashaev, A. A.; Nadezhina, T. N. Crystal structure of nigerite-6H Kristallografiya, 1995, 40, 639-644
9015435	CIF	C2 H2 Ba0.03 Ca0.15 Ce0.2 Dy0.03 Er0.01 Gd0.02 La0.1 Na0.4 Nd0.05 O7 Pr0.01 Sr0.73 Y0.26 Yb0.01	P 1	8.983; 8.985; 6.78 116.25; 102.76; 60	425.041	Tjy, C. T. L.; Pobedimskaya, E. A.; Nadezhina, T. N.; Khomyakov, A. P. Polymorphism of donnayite (Na,TR)Sr(CO3)2*H2O Moscow University Geology Bulletin, 1992, 47, 60-70
9015434	CIF	Mg0.125 O1.872 Zr0.875	F m -3 m	5.0858; 5.0858; 5.0858 90; 90; 90	131.546	Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 2, O displaced along [100] Acta Crystallographica, Section B, 1988, 44, 116-120
9015432	CIF	As O3 Sb	P 1 21/n 1	4.5757; 13.1288; 5.4216 90; 95.039; 90	324.435	Origlieri, M. J.; Downs, R. T.; Carducci, M. D.; Rosso, K. M.; Gibbs, G. V. Crystal structure and bonding in the new mineral AsSbO3 General Meeting of the International Mineralogical Association, 2006, 19, 142-142
9015431	CIF	B F0.87 H2.13 Mg3 O5.13	P 63/m	9.06; 9.06; 3.06 90; 90; 120	217.525	Takeuchi, Y. The structure of fluoborite Acta Crystallographica, 1950, 3, 208-210
9015429	CIF	Al1.463 Fe0.537 Mg O4	F d -3 m :2	8.1697; 8.1697; 8.1697 90; 90; 90	545.278	Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, Untreated European Journal of Mineralogy, 2012, 24, 633-643
9015427	CIF	Al0.84 Ca2.88 Fe1.32 La0.09 Mg0.1 Mn0.03 Nb0.44 O12 Si0.75 Ti0.09 Zr1.46	I a -3 d	12.5512; 12.5512; 12.5512 90; 90; 90	1977.22	Zaitsev, A. N.; Williams, C. T.; Britvin, S. N.; Kuznetsova, I. V.; Spratt, J.; Petrov, S. V.; Keller, J. Kerimasite, Ca3Zr2(Fe3+2Si)O12, a new garnet from carbonatites of Kerimasi volcano and surrounding explosion craters, northern Tanzania Mineralogical Magazine, 2010, 74, 803-820
9015426	CIF	Ca0.99 F Fe0.31 Mn0.33 Na1.25 Nb0.09 O8 Si2 Ti0.26 Zr0.73	P 1 21/a 1	10.54; 9.9; 7.14 90; 108.2; 90	707.758	Simonov, V. I.; Belov, N. V. Crystal structure of lavenite Doklady Akademii Nauk SSSR, 1960, 130, 1333-1336
9015425	CIF	C Ca0.997 O3 Sr0.003	P m c n	4.9596; 7.9644; 5.7416 90; 90; 90	226.795	Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K American Mineralogist, 2012, 97, 707-712
9015424	CIF	Al Ca2 F9 Pb	P -1	5.3815; 5.3846; 12.2034 91.364; 101.11; 91.525	346.72	Kampf, A. R.; Yang, H.; Downs, R. T.; Pinch, W. W. The crystal structures and Raman spectra of aravaipaite and calcioaravaipaite American Mineralogist, 2011, 96, 402-407
9015423	CIF	Al7.296 B3 Ca0.682 F0.669 Fe0.045 H3.33 Li1.626 Mn0.027 Na0.248 O30.33 Pb0.009 Si6 Ti0.003	R 3 m :H	15.8343; 15.8343; 7.1012 90; 90; 120	1541.91	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L19, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9015421	CIF	Ca3 O5 Si	P -1	11.67; 14.24; 13.72 105.3; 94.2; 90	2192.84	Golovastikov, N.; Matveeva, R.; Belov, N. Crystal structure of tricalcium silicate, 3CaO*SiO2 = C3S Kristallografiya, 1975, 20, 721-729
9015420	CIF	Al2.99 Ca2.03 F1.26 Fe0.51 H0.74 K0.691 Mg3.64 Mn0.01 Na0.281 O22.74 Si5.8 Ti0.05	C 1 2/m 1	9.9104; 17.9739; 5.3205 90; 105.534; 90	913.114	Oberti, R.; Boiocchi, M.; Hawthorne, F. C.; Pagano, R.; Pagano, A. Fluoro-potassic-pargasite, KCa2(Mg4Al)(Si6Al2)O22F2, from the Tranomaro area, Madagascar: mineral description and crystal chemistry Mineralogical Magazine, 2010, 74, 961-967
9015419	CIF	Ca0.45 Ce0.275 Dy0.006 F3 Gd0.033 La0.143 Na0.45 Nd0.099 Sm0.011 Y0.044	P 63/m	6.0861; 6.0861; 3.681 90; 90; 120	118.08	Sciberras, M. J.; Leverett, P.; Williams, P. A.; Hibbs, D. E.; Roberts, A. C.; Grice, J. D. The single-crystal X-ray structure of gagarinite-(Ce) The Canadian Mineralogist, 2011, 49, 1111-1114
9015417	CIF	Al0.42 Ca0.04 Fe1.3 H2 K0.78 Mg0.58 O12 Si3.68 Ti0.02	C 1 2/m 1	5.227; 9.053; 10.153 90; 100.53; 90	472.349	Zhukhlistov, A. P. Crystal structure of celadonite from the electron diffraction data Crystallography Reports, 2005, 50, 902-906
9015415	CIF	Al6.393 B3.102 Fe2.106 H3.65 Li0.09 Mg0.171 Mn0.081 Na0.49 O31 Si5.898 Zn0.159	R 3 m :H	15.972; 15.972; 7.16 90; 90; 120	1581.84	Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Schorl CROSS Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266
9015414	CIF	Hg I2	P 42/n m c :2	4.3675; 4.3675; 12.47 90; 90; 90	237.866	Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 293 K, single crystal X-ray data Acta Crystallographica, Section B, 2007, 63, 828-835
9015413	CIF	Fe1.74 H12 K2.92 Mg0.14 Mn1.36 Na2.44 O28 Si8 Ti0.76	P -1	10.1978; 12.0155; 5.2263 103.439; 96.02; 91.683	618.46	Khomyakov, A. P.; Camara, F.; Sokolova, E.; Abdu, Y.; Hawthorne, F. C. Paraershovite, Na3K3Fe3+2(Si4O10OH)2(OH)2(H2O)4, a new mineral species from the Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure The Canadian Mineralogist, 2010, 48, 279-290
9015412	CIF	H8 O13 P2 Zn3	P b n m	5.0266; 10.606; 18.2946 90; 90; 90	975.324	Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wenger, G. The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates Note: beta-hopeite Chemistry - A European Journal, 2004, 10, 2795-2803
9015411	CIF	Al2 Ca0.889 H4 O10 Si2 Sr0.111	C m c m	5.8439; 8.8112; 13.1618 90; 90; 90	677.724	Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU63 American Mineralogist, 2010, 95, 724-735
9015410	CIF	Ag1.05 Bi7.64 Cu0.56 S11	C 1 2/m 1	13.38; 4.0492; 18.69 90; 105.494; 90	975.793	Makovicky, E.; Paar, W. H.; Putz, H.; Zagler, G. Dantopaite, Ag5Bi13S22, the 6P natural member of the pavonite homologous series, from Erzwies, Austria The Canadian Mineralogist, 2010, 48, 467-481
9015409	CIF	Al8 H1.12 Na7.69 O48.56 Si16	R 3 :H	18.468; 18.468; 11.601 90; 90; 120	3426.62	Likhachieva, A. Y.; Rashchenko, S. V.; Seryotkin, Y. V. The deformation mechanism of a pressure-induced phase transition in dehydrated analcime Note: dehydrated, P = 0.9 GPa Mineralogical Magazine, 2012, 76, 129-142
9015407	CIF	Fe1.001 Nb0.13 O6 Ta1.871	P 42/m n m	4.7531; 4.7531; 9.2219 90; 90; 90	208.341	Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim19_q2, treated at 750 C for 80 min Mineralogical Magazine, 2006, 70, 319-328
9015406	CIF	Fe	F m -3 m	3.545; 3.545; 3.545 90; 90; 90	44.55	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 = 13.63 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420
9015404	CIF	Ca O3 Sn	P b n m	5.532; 5.681; 7.906 90; 90; 90	248.464	Vegas, A.; Vallet-Regi, M.; Gonzalez-Calbet, J. M.; Alario-Franco, M. A. The ASnO3 (A = Ca, Sr) perovskites Acta Crystallographica, Section B, 1986, 42, 167-172
9015403	CIF	As S	P 1 21/n 1	8.876; 12.887; 6.272 90; 106.85; 90	686.622	Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 2.82 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412
9015402	CIF	Ba9 O112 Ti36.4 V19.6	P 4/m	10.126; 10.126; 41.41 90; 90; 90	4246.01	Shi, N.; Ma, Z.; Liu, W. Crystal structure determination of ankangite with one dimensional incommensurate modulation Acta Petrologica et Mineralogica, 1991, 10, 233-245
9015401	CIF	Mo O3	P b n m	3.9624; 13.86; 3.6971 90; 90; 90	203.041	Sitepu, H. Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Generalized spherical-harmonic model Powder Diffraction, 2009, 24, 315-326
9015398	CIF	Bi2 Pb3 S6	B b m m	13.54; 20.637; 4.1103 90; 90; 90	1148.52	Olsen, L. A.; Balic Zunic, T.; Makovicky, E. High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 0.0001 GPa Note: occupancies not refined Inorganic Chemistry, 2008, 47, 6756-6762
9015396	CIF	Fe2 Mn3 O12 Si3	I a -3 d	11.8288; 11.8288; 11.8288 90; 90; 90	1655.09	Ottonello, G.; Borketa, M.; Sciuto, P. F. Parameterization of energy and interactions in garnets: End-member properties American Mineralogist, 1996, 81, 429-447
9015393	CIF	Al2 Mg3 O12 Si3	I a -3 d	11.469; 11.469; 11.469 90; 90; 90	1508.61	Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 423.3 K American Mineralogist, 2011, 96, 1593-1605
9015392	CIF	O2 Si	P 1 21/c 1	7.894; 4.456; 8.582 90; 119.7; 90	262.22	Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T. New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 7.4 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first
9015391	CIF	Ba Cl0.23 Fe3 H0.77 O8.77 Si2	C 1 2/m 1	20.3459; 7.0119; 5.3879 90; 94.874; 90	765.877	Kampf, A. R.; Roberts, A. C.; Venance, K. E.; Dunning, G. E.; Walstrom, R. E. Ferroericssonite, the Fe2+ analogue of ericssonite, from eastern Fresno County, California, U.S.A. The Canadian Mineralogist, 2011, 49, 587-594
9015390	CIF	C Ca O3	R -3 c :H	4.99029; 4.99029; 17.0687 90; 90; 120	368.114	Sitepu, H. Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: March model Powder Diffraction, 2009, 24, 315-326
9015388	CIF	Cu2.64 Mo0.04 O8 V1.94 Zn0.36	P 1 21/c 1	6.2695; 8.0195; 6.362 90; 111.96; 90	296.662	Zelenski, M. E.; Zubkova, N. V.; Pekov, I. V.; Boldyreva, M. M.; Pushcharovsky, D. Y.; Nekrasov, A. N. Pseudolyonsite, Cu3(VO4)2, a new mineral species from the Tolbachik volcano, Kamchatka Peninsula, Russia European Journal of Mineralogy, 2011, 23, 475-481
9015385	CIF	Ca1.78 Fe1.72 H2 K0.08 Mg3.5 Na1.06 O24 Si8	C 1 2/m 1	9.691; 17.831; 5.247 90; 105.92; 90	871.908	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 = 3.74 GPa American Mineralogist, 2010, 95, 1042-1051
9015384	CIF	Al3.8 Be0.16 Fe0.3 H1.292 Li0.06 Mg1.66 Mn0.02 Na0.235 O18.646 Si5	C c c m	17.0046; 9.73133; 9.31989 90; 90; 90	1542.23	Sokol, E. V.; Seryotkin, Y. V.; Bul'bak, T. A. Na-Li-Be-rich cordierite from the Murzinka pegmatite field, Middle Urals, Russia European Journal of Mineralogy, 2010, 22, 565-575
9015383	CIF	B Ca H O3	P 1 21/m 1	6.6798; 5.4208; 3.5466 90; 93.245; 90	128.216	Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X. Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 173 K The Canadian Mineralogist, 2011, 49, 823-834
9015379	CIF	H0.88 K0.78 N0.22 O4 P	I -4 2 d	7.4398; 7.4398; 7.0454 90; 90; 90	389.967	Ono, Y.; Yamada, N.; Hikita, T. Structure refinements of the mixed crystal K0.78(NH4)0.22H2PO4 in the temperature range from 20 K to 250K Note: T = 20 K Journal of the Physical Society of Japan, 1991, 60, 2673-2677
9015375	CIF	Cl H	F m -3 m	5.475; 5.475; 5.475 90; 90; 90	164.117	Sandor, E.; Farrow, R. F. C. Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 118.5 K Nature, 1967, 213, 171-172
9015371	CIF	C Na1.947 O3	C 1 2/m 1	8.8818; 5.235; 6.0455 90; 101.464; 90	275.485	Arakcheeva, A.; Bindi, L.; Pattison, P.; Meisser, N.; Chapuis, G.; Pekov, I. The incommensurately modulated structures of natural natrite at 120 and 293 K from synchrotron X-ray data T = 293 K American Mineralogist, 2010, 95, 574-581
9015369	CIF	Al2 Co0.25 O4 Zn0.75	F d -3 m :2	8.09014; 8.09014; 8.09014 90; 90; 90	529.503	Ardit, M.; Cruciani, G.; Dondi, M. Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.025, Co content = 0.25 apfu American Mineralogist, 2012, 97, 1394-1401
9015368	CIF	Al0.41 Ca1.5 Fe0.16 Mg0.39 Na0.5 O7 Si2	P -4 21 m	7.76; 7.76; 5.029 90; 90; 90	302.834	Mokeeva, V.; Makarov, E. Isomorph in melilites: refining of crystal structure of akermanite and intermediate melilite Geokhimiya, 1979, 10, 1541-1544
9015367	CIF	As H3 O6 Zn2	P 1 21/c 1	12.76; 7.93; 10.21 90; 104.4; 90	1000.66	Pushcharovskii, D. Y.; Pobedimskaya, E. A.; Belov, N. V. The crystal structure of legrandite Zn2[AsO4]OH*H2O Soviet Physics - Doklady, 1971, 16, 419-421
9015366	CIF	Al1.609 Fe0.389 Mg O4	F d -3 m :2	8.1472; 8.1472; 8.1472 90; 90; 90	540.786	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 750 C Annealing time = 0 min European Journal of Mineralogy, 2012, 24, 633-643
9015365	CIF	Fe Ge2 Li O6	P 1 21/c 1	9.765; 8.721; 5.301 90; 108.49; 90	428.133	Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A. High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 4.16 GPa American Mineralogist, 2009, 94, 616-621
9015364	CIF	Ca3.841 F2.5 Fe0.402 Mn0.116 Na1.733 Nb0.461 O15.5 Si4 Ti0.539 Zr0.884	P 1 21 1	10.80498; 10.25458; 7.28606 90; 109.117; 90	762.779	Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N. Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea The Canadian Mineralogist, 2012, 50, 593-609
9015363	CIF	Mg1.9 O4 Si	F d -3 m :2	8.0931; 8.0931; 8.0931 90; 90; 90	530.084	Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 443 K American Mineralogist, 2012, 97, 573-582
9015362	CIF	Bi27 Pb25 S62.39 Se3.61	P 1 21/m 1	38.86; 4.09; 39.83 90; 102.3; 90	6185.16	Topa, D.; Makovicky, E.; Dittrich, H. The crystal structure of 7H:12Q cannizzarite from Vulcano, Italy The Canadian Mineralogist, 2010, 48, 483-495
9015359	CIF	Ag2.33 Bi3.67 Pb0.25 S8 Sb0.75	C 1 2/m 1	13.515; 4.098; 26 90; 93; 90	1438.02	Ilinca, G.; Makovicky, E. Note on the definition of borodayevite [Ag5(Fe,Pb)Bi7]13(Sb,Bi)2S17 Note: This structure is based on a theoretical construct, (4,8L) Neues Jahrbuch fur Mineralogie, Monatshefte, 1997, 1997, 337-353
9015358	CIF	Fe S4 Sb2	P n a m	10.9404; 13.3719; 3.6973 90; 90; 90	540.893	Periotto, B.; Balic-Zunic T; Nestola, F. The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 6.62 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218
9015355	CIF	O2 Ti	P 1 21/c 1	4.589; 4.849; 4.736 90; 98.6; 90	104.201	Swamy, V.; Dubrovinsky, L. S.; Dubrovinskaia, N. A.; Langenhorst, F.; Simionovici, A. S.; Drakopoulos, M.; Dmitriev, V.; Weber, H. P. Size effects on the structure and phase transition behavior of baddeleyite TiO2 Solid State Communications, 2005, 134, 541-546
9015353	CIF	Al9 Ca Fe H Mg O17	P 1 c 1	5.6973; 17.1823; 23.5718 90; 90; 90	2307.51	Rastsvetaeva, R. K.; Aksenov, S. M.; Verin, I. A. Crystal structure of complex natural aluminum magnesium calcium iron oxide Crystallography Reports, 2010, 55, 563-568
9015352	CIF	Al1.609 Fe0.391 Mg O4	F d -3 m :2	8.1466; 8.1466; 8.1466 90; 90; 90	540.666	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 550 C Annealing time = 35,340 min European Journal of Mineralogy, 2012, 24, 633-643
9015351	CIF	Al12 H46.48 K7.447 O95.24 Si24 Tl3.813	P 6/m m m	18.5432; 18.5432; 7.531 90; 90; 120	2242.6	Artioli, G.; Kvick, A. Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of synthetic zeolite-L Sample: data collected with conventional diffractometer radiation European Journal of Mineralogy, 1990, 2, 749-759
9015349	CIF	Pb4.819 S11 Sb4.161	P b n m	21.285; 23.525; 4.019 90; 90; 90	2012.43	Bente, K.; Meier-Salimi M Substitution experiments and structure investigations on Ag-Tl-bearing boulangerites - a contribution to the rayite problem Neues Jahrbuch fur Mineralogie, Abhandlungen, 1991, 163, 212-216
9015347	CIF	Al7.251 B3 Ca0.638 F0.666 Fe0.132 H3.333 Li1.566 Mg0.015 Mn0.03 Na0.284 O30.333 Pb0.006 Si6 Ti0.006	R 3 m :H	15.8399; 15.8399; 7.103 90; 90; 120	1543.4	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L21, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9015346	CIF	Ni Ti0.885	P -3	7.3715; 7.3715; 5.302 90; 90; 120	249.507	Sitepu, H. Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy Powder Diffraction, 2007, 22, 209-218
9015344	CIF	Fe O4 Sb2	P 42/m b c	8.5758; 8.5758; 5.8983 90; 90; 90	433.787	Hinrichsen, B.; Dinnebier, R. E.; Rajiv, P.; Hanfland, M.; Grzechnik, A.; Jansen, M. Advances in data reduction of high-pressure X-ray powder diffraction data from two-dimensional detectors: a case study of schafarzikite (FeSb2O4) Note: P = 0.5 GPa Journal of Physics: Condensed Matter, 2006, 18, S1021-S1037
9015343	CIF	Ca2 Fe2 H O15 Si5	P 1	12.18; 6.68; 7.5 93.98; 112.32; 86.05	562.539	Kosoi, A. L. Structure of babingtonite Kristallografiya, 1975, 20, 730-739
9015341	CIF	Mg1.92 O4 Si	F d -3 m :2	8.103; 8.103; 8.103 90; 90; 90	532.032	Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 537 K American Mineralogist, 2012, 97, 573-582
9015340	CIF	Cr H O2	P 21 n m	4.8623; 4.2972; 2.9567 90; 90; 90	61.778	Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N. Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run LT9 European Journal of Mineralogy, 2012, 24, 839-850
9015338	CIF	Ba Cu O10 Si4	P 4/n c c :2	7.43602; 7.43602; 16.1302 90; 90; 90	891.91	Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = 1.000 European Journal of Mineralogy, 2010, 22, 411-423
9015337	CIF	Fe2.97 Mn0.024 Ni0.027 Si	F m -3 m	5.67; 5.67; 5.67 90; 90; 90	182.284	Yu, Z. Two new minerals gupeiite and xifengite in cosmic dusts from Yanshan Acta Petrologica Mineralogica et Analytica, 1984, 3, 231-238
9015335	CIF	Fe0.46 Mg0.04 Mn0.16 S Zn0.32	P 63 m c	3.8357; 3.8357; 6.3002 90; 90; 120	80.274	Ma, C.; Beckett, J. R.; Rossman, G. R. Buseckite, (Fe,Zn,Mn)S, a new mineral from the Zaklodzie meteorite American Mineralogist, 2012, 97, 1226-1233
9015334	CIF	Cr6 Fe18 Mo5	I -4 3 m	8.92; 8.92; 8.92 90; 90; 90	709.732	Kasper, J. S. The ordering of atoms in the chi-phase of the iron-chromium-molybdenum system Acta Metallurgica, 1954, 2, 456-461
9015333	CIF	F H Mg O	P n m a	10.1299; 3.0723; 4.676 90; 90; 90	145.527	Crichton, W. A.; Parise, J. B.; Muller, H.; Breger, J.; Marshall, W. G.; Welch, M. D. Synthesis and structure of magnesium hydroxide fluoride, Mg(OH)F: a topological intermediate between brucite- and rutile-type structures Mineralogical Magazine, 2012, 76, 25-36
9015332	CIF	Hg I2	P 42/n m c :2	4.358; 4.358; 12.3 90; 90; 90	233.604	Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 10 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835
9015329	CIF	C0.55 Na4 O7.45 S1.45	P m n m :2	5.177; 9.224; 7.066 90; 90; 90	337.42	Giuseppetti, G.; Mazzi, F.; Tadini, C. The crystal structure of synthetic burkeite Sample B Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths Neues Jahrbuch fur Mineralogie, Monatshefte, 1988, 1988, 203-221
9015328	CIF	S Ti	R -3 m :H	3.417; 3.417; 26.455 90; 90; 120	267.503	Hahn, H.; Harder, B. Zur Kristallstruktur der Titansulfide Zeitschrift fur Anorganische und Allgemeine Chemie, 1956, 288, 241-256
9015327	CIF	As Cu2 H7 O8	P 21 21 21	10.506; 10.506; 6.103 90; 90; 90	673.625	Eby, R. K.; Hawthorne, F. C. Euchroite, a heteropolyhedral framework structure Acta Crystallographica, Section C, 1989, 45, 1479-1482
9015326	CIF	Al7 Ca6.66 Cl1.11 O16	I -4 3 d	11.98; 11.98; 11.98 90; 90; 90	1719.37	Ma, C.; Connolly, H. C.; Beckett, J. R.; Tschauner, O.; Rossman, G. R.; Kampf, A. R.; Zega, T. J.; Sweeney Smith, S. A.; Schrader, D. L. Brearleyite, Ca12Al14O32Cl2, a new alteration mineral from the NWA 1934 meteorite American Mineralogist, 2011, 96, 1199-1206
9015325	CIF	Al0.76 Cr0.24 Nb O4	C 1 2/m 1	12.1881; 3.7726; 6.5033 90; 107.7; 90	284.872	Ardit, M.; Dondi, M.; Cruciani, G. Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N25 American Mineralogist, 2012, 97, 910-917
9015324	CIF	C Fe O3	R -3 c :H	4.664; 4.664; 15.168 90; 90; 120	285.743	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 P2, P = 3.48 GPa Physical Review B, 2010, 82, 064110-064118
9015321	CIF	Fe	F m -3 m	3.485; 3.485; 3.485 90; 90; 90	42.326	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 M620, P = 24.19 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420
9015320	CIF	C Ca0.997 O3 Sr0.003	P m c n	4.9615; 7.9629; 5.7428 90; 90; 90	226.886	Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K, high-temperature experiment American Mineralogist, 2012, 97, 707-712
9015318	CIF	Ca0.74 Ce0.03 K0.6 Mg0.04 Mn0.2 Na0.9 O20 Pb0.01 Si8 Th0.88	P 4/m c c	7.58; 7.58; 14.77 90; 90; 90	848.631	Prichard, P.; Perrault, G. Structure cristalline de l'ekanite de St-Hilaire, P.Q. Acta Crystallographica, Section B, 1972, 28, 1994-1999
9015316	CIF	C0.767 H1.998 Al2.82 Ca0.6 Na3.155 O15.3 Si3.18	P 63	12.625; 12.625; 5.122 90; 90; 120	707.022	Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# tz3/1 The Canadian Mineralogist, 2012, 49, 1129-1150
9015315	CIF	Al2.036 Ca1.16 Fe0.964 H Mn0.128 Nd0.712 O13 Si3	P 1 21/m 1	8.8897; 5.7308; 10.101 90; 115.166; 90	465.751	Skoda, R.; Cempirek, J.; Filip, J.; Novak, M.; Veselovsky, F.; Ctvrtlik, R. Allanite-(Nd), CaNdAl2Fe2+(SiO4)(Si2O7)O(OH), a new mineral from Askagen, Sweden American Mineralogist, 2012, 97, 983-988
9015314	CIF	Ca H8 O15 Si4 V	P c m n	9.7614; 13.6666; 9.6049 90; 90; 90	1281.34	Hughes, J. M.; Derr, R. S.; Cureton, F.; Campana, C. F.; Druschel, G. The crystal structure of cavansite: location of the H2O molecules and hydrogen atoms in Ca(VO)(Si4O10)*4H2O Note: T = 296 K The Canadian Mineralogist, 2011, 49, 1267-1272
9015312	CIF	As2 Ca H4 O8	P -1	8.558; 7.697; 5.721 92.35; 109.52; 109.59	329.621	Ferraris, G.; Jones, D. W.; Yerkess, J. A neutron diffraction study of the crystal structure of calcium bis(dihydrogen arsenate), Ca(H2AsO4)2 Acta Crystallographica, Section B, 1972, 28, 2430-2437
9015309	CIF	O2 Si	P 1 21/c 1	7.803; 4.382; 8.366 90; 118.7; 90	250.913	Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T. New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 10.1 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first
9015308	CIF	Mg O6 Sb2	P 42/m n m	4.63; 4.63; 9.21 90; 90; 90	197.434	Bystrom, A.; Hok, B.; Mason, B. The crystal structure of zinc metantimonate and similar compounds Arkiv for Kemi, Mineralogi och Geologi, 1942, 1-8
9015305	CIF	Al0.37 Ca2 Fe1.63 O5	P n m a	5.3769; 14.6032; 5.5712 90; 90; 90	437.45	Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.37 Note: P = 2.015 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504
9015304	CIF	Al2 Cu0.12 Mg0.88 O4	F d -3 m :2	8.0857; 8.0857; 8.0857 90; 90; 90	528.631	Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl30bw American Mineralogist, 2012, 97, 1821-1827
9015302	CIF	As Pb S4 Sb	P 1 21/c 1	8.527; 7.971; 20.102 90; 101.814; 90	1337.36	Makovicky, E.; Topa, D.; Tajjedin, H.; Rastad, E.; Yaghubpur, A. The crystal structure of guettardite, PbAsSbS4, and the twinnite-guettardite problem The Canadian Mineralogist, 2012, 50, 253-265
9015299	CIF	Nb2 O6 Sr	P n m a	10.9862; 7.7223; 5.5944 90; 90.372; 90	474.612	Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M. Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd] Materials Research Bulletin, 1994, 29, 743-749
9015296	CIF	Cl2 Fe	R -3 m :H	3.598; 3.598; 17.481 90; 90; 120	195.983	Vettier, C.; Yelon, W. B. The structure of FeCl2 at high pressures Note: P = 1.04 kbar Journal of Physics and Chemistry of Solids, 1975, 36, 401-405
9015295	CIF	C H O4 Tm	P 21 21 21	6.9028; 4.7833; 8.5086 90; 90; 90	280.938	Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334
9015294	CIF	Al3 Ca2 H O13 Si3	P n m a	16.0796; 5.4721; 9.869 90; 90; 90	868.365	Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 5.533 GPa American Mineralogist, 2012, 97, 1165-1176
9015293	CIF	Cu2 Se	F m -3 m	5.787; 5.787; 5.787 90; 90; 90	193.803	Yamamoto, K.; Kashida, S. X-ray study of the average structures of Cu2Se and Cu1.8S in the room temperature and the high temperature phases Note: Sample: Cu2Se (high) Model 1, T = 433 K Journal of Solid State Chemistry, 1991, 93, 202-211
9015291	CIF	Al1.461 Fe0.538 Mg1.001 O4	F d -3 m :2	8.169; 8.169; 8.169 90; 90; 90	545.138	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 550 C Annealing time = 960 min European Journal of Mineralogy, 2012, 24, 633-643
9015286	CIF	B Ca H O5 Si	P 1 21/c 1	4.833; 7.6074; 9.631 90; 90.175; 90	354.097	Rinaldi, R.; Gatta, G. D.; Angel, R. J. Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study Note: T = 250 K American Mineralogist, 2010, 95, 1413-1421
9015285	CIF	Mg1.9 O4 Si	F d -3 m :2	8.086; 8.086; 8.086 90; 90; 90	528.69	Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 350 K American Mineralogist, 2012, 97, 573-582
9015284	CIF	C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3	P 63	12.447; 12.447; 5.006 90; 90; 120	671.662	Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 2.33 GPa American Mineralogist, 2012, 97, 872-882
9015282	CIF	Fe2.856 H6.73 Na0.75 O14 S2	C 1 2/m 1	12.74852; 7.34697; 6.98243 90; 127.197; 90	520.945	Scarlett, N. V. Y.; Grey, I. E.; Brand, H. E. A. Ordering of iron vacancies in monoclinic jarosites Note: T = 95 C American Mineralogist, 2010, 95, 1590-1593
9015281	CIF	Al3 Ca2 H O13 Si3	P n m a	16.0845; 5.477; 9.8785 90; 90; 90	870.245	Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 5.145 GPa American Mineralogist, 2012, 97, 1165-1176
9015279	CIF	Nb2 Nd0.67 O6	P m m m	3.8809; 3.9049; 7.838 90; 90; 90	118.781	Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G. Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: Nd2/3-x Na3x Nb2O6 synthesized at 1330 deg C Note: x = 0 Inorganic Materials, 2004, 40, 1324-1330
9015277	CIF	La0.3 Nb2 O6 Sr0.7	P n m a	11.053; 7.64; 5.556 90; 90; 90	469.176	Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M. Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd] Materials Research Bulletin, 1994, 29, 743-749
9015276	CIF	C0.74 H2.46 Al3 Ca0.44 Fe0.04 Na3.16 O15.45 Si3	P 63	12.75; 12.75; 5.14 90; 90; 120	723.626	Jarchow, O. Atomanordnung und Strukturverfeinerung von Cancrinit Zeitschrift fur Kristallographie, 1965, 122, 407-422
9015274	CIF	Mg2 O4 Si	I m m a	5.7321; 11.4998; 8.3163 90; 90; 90	548.194	Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J. High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 929 K American Mineralogist, 2012, 97, 1582-1590
9015273	CIF	Fe1.1 Mg0.75 Mn0.15 O4 Si	P b n m	4.809; 10.42; 6.08 90; 90; 90	304.667	Hazen, R. M. Effects of temperature and pressure on the crystal structure of ferromagnesian olivine T = 300 deg C, P = 1 atm American Mineralogist, 1977, 62, 286-295
9015272	CIF	Al2 Cu0.24 Mg0.76 O4	F d -3 m :2	8.0867; 8.0867; 8.0867 90; 90; 90	528.827	Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl50bw American Mineralogist, 2012, 97, 1821-1827
9015271	CIF	Al2.46 Cu2.86 H36 O36 Sb3 Zn3.68	R -3 :H	5.34; 5.34; 88.01 90; 90; 120	2173.43	Mills, S. J.; Christy, A. G.; Kampf, A. R.; Housley, R. M.; Favreau, G.; Boulliard, J. C.; Bourgoin, V. Zincalstibite-9R: the first nine-layer polytype with the layered double hydroxide structure-type Mineralogical Magazine, 2012, 76, 1337-1345
9015269	CIF	Al2 Ca0.807 H4 O10 Si2 Sr0.193	C m c m	5.8457; 8.8286; 13.1834 90; 90; 90	680.387	Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU62 American Mineralogist, 2010, 95, 724-735
9015268	CIF	Al8.64 B4.2 H3 Li0.36 Na0.76 O31 Si4.8	R 3 m :H	15.723; 15.723; 7.068 90; 90; 120	1513.21	Ertl, A.; Giester, G.; Ludwig, T.; Meyer, H. P.; Rossman, G. R. Synthetic B-rich olenite: Correlations of single-crystal structural data Note: sample ElbK-11 American Mineralogist, 2012, 97, 1591-1597
9015267	CIF	Cu3 Mo1.94 O9 S0.06	P n m a	7.6638; 6.867; 14.5554 90; 90; 90	766.012	Zelenski, M. E.; Zubkova, N. V.; Pekov, I. V.; Polekhovsky, Y. S.; Pushcharovsky, D. Y. Cupromolybdite, Cu3O(MoO4)2, a new fumarolic mineral from the Tolbachik volcano, Kamchatka Peninsula, Russia European Journal of Mineralogy, 2012, 24, 749-757
9015266	CIF	Al2 Ca0.019 H4 O10 Si2 Sr0.981	P 1 21/m 1	5.4222; 13.2778; 5.8584 90; 124.42; 90	347.929	Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU89 American Mineralogist, 2010, 95, 724-735
9015265	CIF	Rh Sb3	I m -3	9.2322; 9.2322; 9.2322 90; 90; 90	786.893	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
9015264	CIF	Cl F O Pb2	I 4/m m m	4.065; 4.065; 12.631 90; 90; 90	208.717	Turner, R. W.; Siidra, O. I.; Krivovichev, S. V.; Stanley, C. J.; Spratt, J. Rumseyite, [Pb2OF]Cl, the first naturally occurring fluoroxychloride mineral with the parent crystal structure for layered lead oxychlorides Mineralogical Magazine, 2012, 76, 1247-1255
9015260	CIF	C Fe O3	R -3 c :H	4.527; 4.527; 13.57 90; 90; 120	240.842	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 P11, P = 36.3 GPa Physical Review B, 2010, 82, 064110-064118
9015259	CIF	Al7.29 Fe0.71 H42 O48 P6	P 1 21/n 1	10.604; 16.608; 20.647 90; 98.848; 90	3592.9	Kampf, A. R.; Mills, S. J.; Rumsey, M. S.; Spratt, J.; Favreau, G. The crystal structure determination and redefinition of matulaite, Fe3+Al7(PO4)4(PO3OH)2(OH)8(H2O)8*8H2O Mineralogical Magazine, 2012, 76, 517-534
9015258	CIF	Fe	F m -3 m	3.533; 3.533; 3.533 90; 90; 90	44.099	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 = 15.58 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420
9015256	CIF	Al2.01 Cu0.01 Mg0.99 O4	F d -3 m :2	8.0853; 8.0853; 8.0853 90; 90; 90	528.553	Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl05b American Mineralogist, 2012, 97, 1821-1827
9015255	CIF	Eu2 O7 Ta2	C m c m	3.9542; 27.142; 5.692 90; 90; 90	610.893	Jacobsen, H.; Lissner, F.; Manek, E.; Meyer, G. Crystal structures of dieuropium(II) ditantalum heptoxide, Eu2Ta2O7 and europium(II) ditantalum hexoxide, EuTa2O6 Zeitschrift fur Kristallographie, 1996, 211, 547-548
9015253	CIF	Ca3.48 Ce0.5 F2.6 La0.18 Na2.28 Nb0.33 Nd0.24 O15.4 Pr0.06 Si4 Sm0.04 Ti0.64 Y0.1 Zr0.03	P 1 21/c 1	7.4328; 5.6595; 18.8181 90; 101.353; 90	776.112	Camara, F.; Sokolova, E.; Hawthorne, F. C. From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample 1991c Mineralogical Magazine, 2011, 75, 2755-2774
9015251	CIF	O5 Pb3 Se	C m c 21	10.5384; 10.7452; 5.7577 90; 90; 90	651.986	Kampf, A. R.; Mills, S. J.; Pinch, W. W. Plumboselite, Pb3O2(SeO3), a new oxidation-zone mineral from Tsumeb, Namibia Mineralogy and Petrology, 2011, 101, 75-80
9015248	CIF	Al0.02 Ca9 Fe0.35 H Mg0.62 Mn0.02 O28 P7	R 3 c :H	10.359; 10.359; 37.0857 90; 90; 120	3446.46	Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H. Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds The Canadian Mineralogist, 2011, 49, 1065-1078
9015247	CIF	Mg1.8 O4 Si0.97	F d -3 m :2	8.1115; 8.1115; 8.1115 90; 90; 90	533.708	Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 736 K, split Si model American Mineralogist, 2012, 97, 573-582
9015246	CIF	Ca O12.18 Si4 V	P n m a	9.39; 13.11; 9.39 90; 90; 90	1155.94	Danisi, R. M.; Armbruster, T.; Lazic, B. In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 350 C American Mineralogist, 2012, 97, 1874-1880
9015245	CIF	Al6.591 B3.018 Ca0.05 F0.58 Fe1.896 H3.18 K0.01 Li0.069 Mg0.228 Mn0.288 Na0.76 O30.42 Si5.772 Ti0.12 Zn0.009	R 3 m :H	15.987; 15.987; 7.163 90; 90; 120	1585.47	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 TK12 European Journal of Mineralogy, 2012, 24, 695-715
9015244	CIF	Cl2 Fe	R -3 m :H	3.603; 3.603; 17.536 90; 90; 120	197.147	Wilkinson, M. K.; Cable, J. W.; Wollan, E. O.; Koehler, W. C. Neutron diffraction investigations of the magnetic ordering in FeBr2, CoBr2, FeCl2, and CoCl2 Physical Review, 1959, 113, 497-507
9015242	CIF	Ca3 H30 O25.66 S1.82 Si	P 63/m	11.1548; 11.1548; 10.5702 90; 90; 120	1139.04	Chukanov, N. V.; Britvin, S. N.; Van, K. V.; Mockel, S.; Zadov, A. E. Kottenheimite, Ca3Si(OH)6(SO4)2*12H2O, a new member of the ettringite group from the Eifel area, Germany Rhineland-Palatinate, Germany The Canadian Mineralogist, 2012, 50, 55-63
9015238	CIF	Ca12 F H1.82 K6.58 Na3.66 O91.41 Si35 Sr0.69	P 1 21/m 1	32.11; 19.77; 7.23 90; 95.85; 90	4565.81	Rozhdestvenskaya, I. V.; Mugnaioli, E.; Czank, M.; Depmeier, W.; Kolb, U.; Merlino, S. Essential features of the polytypic charoite-96 structure compared to charoite-90 Note: This structure is polytype charoite-96 Mineralogical Magazine, 2011, 75, 2833-2846
9015236	CIF	Ba O3 Ti	R 3 m :R	4.00385; 4.00385; 4.00385 89.843; 89.843; 89.843	64.184	Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 130 K Journal of Physical Chemistry, 1993, 97, 2368-2377
9015234	CIF	Cu Fe S2	I -4 2 d	5.29; 5.29; 10.4217 90; 90; 90	291.642	Knight, K. S.; Marshall, W. G.; Zochowski, S. W. The low-temperature and high-pressure thermoelastic and structural properties of chalcopyrite, CuFeS2 T = 300 K The Canadian Mineralogist, 2011, 49, 1015-1034
9015230	CIF	As Cd Cu H O5	P n m a	7.415; 5.89; 9.016 90; 90; 90	393.768	Effenberger, H. CdCu(OH)(AsO4), the first Cd member of the adelite-descloizite structure type Zeitschrift fur Kristallographie, 2002, 19, 85-85
9015228	CIF	As3 Ca4 H9 O16	P 1 21/c 1	5.8279; 10.1802; 22.8944 90; 96.943; 90	1348.35	Yang, H.; Evans, S. H.; Downs, R. T.; Jenkins, R. A. The crystal structure of vladimirite, with a revised chemical formula, Ca4(AsO4)2(AsO3OH)*4H2O Note: Sample R100075 The Canadian Mineralogist, 2011, 49, 1055-1064
9015227	CIF	Ca3.46 F2 Na2.1 O20 Si8 Sr0.3	P -1	7.788; 18.941; 6.995 90.17; 116.78; 94.16	918.013	Rozhdestvenskaya, I. V.; Nikishova, L. V. Crystal structure of Na(Ca,Sr)2Si4O10F strontium agrellite from Yakutian charoitites: agrellite polytypes Crystallography Reports, 1998, 43, 589-597
9015226	CIF	Ca9 F0.96 O17.04 Si4	P 21/b 1 1	5.0687; 11.3579; 15.4004 100.598; 90; 90	871.474	Galuskin, E. V.; Lazic, B.; Armbruster, T.; Galuskina, I. O.; Pertsev, N. N.; Gazeev, V. M.; Wlodyka, R.; Dulski, M.; Dzierzanowski, P.; Zadov, A. E.; Dubrovinsky, L. S. Edgrewite Ca9(SiO4)4F2-hydroxyledgrewite Ca9(SiO4)4(OH)2, a new series of calcium humite-group minerals from altered xenoliths in the ignimbrite of Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia American Mineralogist, 2012, 97, 1998-2006
9015225	CIF	Al13.571 B3.58 Fe0.8 Mg1.634 O37 Si4	P -1	7.98539; 8.15541; 11.4021 110.436; 110.872; 84.678	649.732	Grew, E. S.; Armbruster, T.; Lazic, P.; Yates, M. G.; Medenbach, O.; Huijsmans, J. P. P. Werdingite from a pegmatite at Almgjotheii, Rogaland, Norway: The role of iron in a borosilicate with a mullite-type structure European Journal of Mineralogy, 2011, 23, 577-589
9015224	CIF	As2 Cu5 O12	P -1	6.121; 6.251; 6.79 92.93; 111.3; 107.47	227.109	Tillmanns, E.; Hofmeister, W.; Petitjean, K. Cornubite, Cu5(AsO4)2(OH)4, first occurence of single crystals, mineralogical description and crystal structure Bulletin of the Geological Society of Finland, 1985, 57, 119-127
9015222	CIF	Nd O6 Ta Ti	P n m a	10.9771; 7.5051; 5.3602 90; 90; 90	441.596	Thorogood, G. J.; Avdeev, M.; Kennedy, B. J. Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide Solid State Sciences, 2010, 12, 1263-1269
9015219	CIF	Fe O4 P	P b n m	4.76; 9.68; 5.819 90; 90; 90	268.121	Bjorling, C. O.; Westgren, A. Minerals of the Varustrask Pegmatite. IX. X-ray studies of triphylite, varulite and their oxidation products Geologiska Foreningens i Stockholm Forhandlingar, 1938, 60, 67-72
9015218	CIF	Al1.609 Fe0.389 Mg O4	F d -3 m :2	8.1482; 8.1482; 8.1482 90; 90; 90	540.985	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 = 1533 min European Journal of Mineralogy, 2012, 24, 633-643
9015217	CIF	Fe24.97 Mg35.53 O108 Sb20.496	F d -3 m :2	25.93; 25.93; 25.93 90; 90; 90	17434.4	Bonazzi, P.; Chelazzi, L.; Bindi, L. Superstructure, crystal chemistry, and cation distribution in filipstadite, a Sb5±bearing, spinel-related mineral American Mineralogist, 2013, 98, 361-366
9015215	CIF	As2 Cu3 O8	P 1 21/c 1	6.306; 8.643; 11.31 90; 92.26; 90	615.947	Starova, G. L.; Vergasova, L. P.; Filatov, S. K.; Britvin S N. Ananyev V V Lammerite-beta, Cu3(AsO4)2 - a new mineral from fumaroles of the Great Fissure Tolbachic eruption (Kamchatka, Russia) Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2011, 140, 46-51
9015214	CIF	Mg1.84 O4 Si0.93	F d -3 m :2	8.143; 8.143; 8.143 90; 90; 90	539.95	Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 736 K American Mineralogist, 2012, 97, 573-582
9015213	CIF	Al2 H4 O10 Pb Si2	P b n m	5.85; 9.03; 13.31 90; 90; 90	703.107	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
9015212	CIF	Al3.9 Ca1.95 H26 O37 Si8.1	R -3 m :R	9.42; 9.42; 9.42 94.28; 94.28; 94.28	828.533	Smith, J. V.; Rinaldi, F.; Dent Glasser, L. S. Crystal structures with a chabazite framework. II. Hydrated Ca-chabazite at room temperature Acta Crystallographica, 1963, 16, 45-53
9015211	CIF	Al7.23 B3 Ca0.06 F0.54 Fe0.42 H3.46 Li1.02 Mg0.06 Mn0.18 Na0.73 O30.46 Si6	R 3 m :H	15.856; 15.856; 7.1079 90; 90; 120	1547.6	Diego Gatta, G.; Danisi, R. M.; Adamo, I.; Meven, M.; Diella, V. A single-crystal neutron and X-ray diffraction study of elbaite Note: X-ray data Physics and Chemistry of Minerals, 2012, 39, 577-588
9015208	CIF	H2 O	P 63/m m c	4.497479; 4.497479; 7.322382 90; 90; 120	128.269	Fortes, A. D.; Wood, I. G.; Grigoriev, D.; Alfredsson, M.; Kipfstuhl, S.; Knight, K. S.; Smith, R. I. No evidence for large-scale proton ordering in Antarctic ice from powder neutron diffraction Note: T = 100 K Note: known as ice-IH Journal of Chemical Physics, 2004, 120, 11376-11379
9015207	CIF	Fe Ge3 H4 O10 Pb	P 1 21/m 1	5.8279; 13.615; 6.3097 90; 127.314; 90	398.184	Origlieri, M. J.; Yang, H.; Downs, R. T.; Posner, E. S.; Domanik, K. J.; Pinch, W. W. The crystal structure of bartelkeite, with a revised chemical formula, PbFeGeVI(GeIV2O7)(OH)2*H2O, isotypic with high-pressure P21/m lawsonite American Mineralogist, 2012, 97, 1812-1815
9015206	CIF	Cu1.95 Se	F m -3 m	5.787; 5.787; 5.787 90; 90; 90	193.803	Yamamoto, K.; Kashida, S. X-ray study of the average structures of Cu2Se and Cu1.8S in the room temperature and the high temperature phases Note: Sample: Cu2Se (high) Model 2, T = 433 K Journal of Solid State Chemistry, 1991, 93, 202-211
9015204	CIF	Al6.516 B3 Ca0.156 Cr0.009 F0.06 Fe1.026 H3.094 K0.015 Mg1.359 Mn0.006 Na0.348 O30.94 Si6 Ti0.069 V0.006	R 3 m :H	15.935; 15.935; 7.16 90; 90; 120	1574.52	Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample O-T16-92 American Mineralogist, 1999, 84, 922-928
9015202	CIF	Al1.609 Fe0.388 Mg1.001 O4	F d -3 m :2	8.1476; 8.1476; 8.1476 90; 90; 90	540.865	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 750 C Annealing time = 15 min European Journal of Mineralogy, 2012, 24, 633-643
9015201	CIF	Bi2 Pb Se4	R -3 m :H	4.16; 4.16; 39.2 90; 90; 120	587.494	Agaev, K. A.; Semiletov, S. A. Electron diffraction study of the structure of PbBi2Se4 Kristallografiya, 1968, 13, 258-260
9015199	CIF	Cl2 F12 Pb7	P -6	10.267; 10.267; 3.9844 90; 90; 120	363.731	Merlino, S.; Pasero, M.; Perchiazzi, N.; Kampf, A. R. Laurelite: Its crystal structure and relationship to alpha-PbF2 Note: Re-examination of the crystal by H Yang and A Kampf showed that it was twinned, and the partially occupied sites were relicts. American Mineralogist, 1996, 81, 1277-1281
9015198	CIF	C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3	P 63	12.514; 12.514; 5.034 90; 90; 120	682.71	Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 1.39 GPa American Mineralogist, 2012, 97, 872-882
9015197	CIF	Al2.21 Ca2 Fe0.58 H Mn0.21 O13 Si3	P 1 21/m 1	8.898; 5.6549; 10.1752 90; 115.428; 90	462.39	Nagashima, M.; Akasada, M. X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=0.75, run 27 American Mineralogist, 2010, 95, 1237-1246
9015195	CIF	As Cu1.45 Fe0.55 O5	P n n m	8.6235; 8.2757; 5.9501 90; 90; 90	424.632	Mills, S. J.; Kampf, A. R.; Poirier, G.; Raudsepp, M.; Steele, I. M. Auriacusite, Fe3+Cu2+AsO4O, the first M3+ member of the olivenite group, from the Black Pine mine, Montana, USA Mineralogy and Petrology, 2010, 99, 113-120
9015194	CIF	Ba O9 Si3 Ti	P -6 c 2	6.5518; 6.5518; 9.6503 90; 90; 120	358.751	Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 4.28 GPa American Mineralogist, 2012, 97, 1749-1763
9015192	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 = 1 Journal of Applied Crystallography, 1999, 32, 51-59
9015191	CIF	Be O	P 63 m c	2.6983; 2.6983; 4.3776 90; 90; 120	27.602	Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: Crystal no. 2 in cell Journal of Applied Physics, 1986, 59, 3728-3733
9015189	CIF	Hg2 I O	C 1 2/c 1	17.603; 6.981; 6.701 90; 101.61; 90	806.615	Stalhandske, C.; Aurivillius, K.; Bertinsson, G. I. Structure of mercury(I,II) iodide oxide, Hg2OI Acta Crystallographica, Section C, 1985, 41, 167-168
9015188	CIF	Al7.308 B3 Ca0.691 F0.678 Fe0.054 H3.321 Li1.611 Mg0.003 Mn0.024 Na0.234 O30.321 Pb0.006 Si6 Ti0.003	R 3 m :H	15.8303; 15.8303; 7.1017 90; 90; 120	1541.24	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L20, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9015185	CIF	Fe8 O17	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 2, positions of sulfate groups not determined American Mineralogist, 2010, 95, 1312-1322
9015184	CIF	Ba0.402 Cu O10 Si4 Sr0.598	P 4/n c c :2	7.38801; 7.38801; 15.8265 90; 90; 90	863.853	Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .402 European Journal of Mineralogy, 2010, 22, 411-423
9015183	CIF	Al1.61 Fe0.388 Mg O4	F d -3 m :2	8.1477; 8.1477; 8.1477 90; 90; 90	540.885	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 750 C Annealing time = 1680 min European Journal of Mineralogy, 2012, 24, 633-643
9015182	CIF	Cu29 S16	P -1	13.409; 13.4051; 15.4852 90.022; 90.021; 90.02	2783.45	Mumme, W. G.; Gable, R. W.; Petricek, V. The crystal structure of roxbyite, Cu58S32 The Canadian Mineralogist, 2012, 50, 423-430
9015181	CIF	Al2 Mg3 O12 Si3	I a -3 d	11.4641; 11.4641; 11.4641 90; 90; 90	1506.68	Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 373.5 K American Mineralogist, 2011, 96, 1593-1605
9015179	CIF	Al1.608 Fe0.388 Mg1.002 O4	F d -3 m :2	8.1483; 8.1483; 8.1483 90; 90; 90	541.005	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 = 6141 min European Journal of Mineralogy, 2012, 24, 633-643
9015174	CIF	Fe Nb1.2 O6 Ta0.8	P b c n	14.2737; 5.73543; 5.0554 90; 90; 90	413.864	dos Santos, C. A.; Zawislak, L. I.; Kinast, E. J.; Antonietti, V.; da Cunha, J. B. M. Crystal chemistry and structure of the orthorhombic (Fe,Mn)(Ta,Nb)2O6 family of compounds Note: Sample Fe(Ta0.4Nb0.6)2O6 Brazilian Journal of Physics, 2001, 31, 616-631
9015173	CIF	B4.56 F2.32 Mg8 O13.68	P n a 21	20.44; 4.53; 11.8 90; 90; 90	1092.6	Brovkin, A. A.; Nikishova, L. V. The crystal structure of a-Mg2BO3F and the isomorphic substitution (3F)=(BO3) Soviet Physics - Crystallography, 1975, 20, 452-455
9015172	CIF	Fe0.2 Li0.84 Mn0.8 O4 P	P b n m	4.7403; 10.4145; 6.0795 90; 90; 90	300.132	Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F. A structural study of the lithiophilite-sicklerite series Sample 3, yellow The Canadian Mineralogist, 2012, 50, 843-854
9015170	CIF	As2.847 Ca2.1 Mg1.762 Mn0.238 Na0.9 O12 Si0.12	I a -3 d	12.345; 12.345; 12.345 90; 90; 90	1881.37	Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097
9015167	CIF	C Fe O3	R -3 c :H	4.519; 4.519; 13.47 90; 90; 120	238.223	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 P12, P = 38.5 GPa Physical Review B, 2010, 82, 064110-064118
9015166	CIF	Fe	F m -3 m	3.569; 3.569; 3.569 90; 90; 90	45.461	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 = 8.02 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420
9015163	CIF	Al0.223 Fe0.141 H4 Mg2.742 O9 Si1.888	P 3 1 m	5.3259; 5.3259; 7.2726 90; 90; 120	178.651	Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E. The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: Varana 1, polytype 1T The Canadian Mineralogist, 2011, 49, 1045-1054
9015162	CIF	Fe0.999 Nb0.13 O6 Ta1.871	P 42/m n m	4.7561; 4.7561; 9.203 90; 90; 90	208.176	Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim24_q3, treated at 700 C for 450 min Mineralogical Magazine, 2006, 70, 319-328
9015159	CIF	As Cu3 H3 O7	P 1 21/c 1	7.24; 6.46; 12.38 90; 99.5; 90	571.077	Ghose, S.; Fehlmann, M.; Sundaralingam, M. The crystal structure of clinoclase, Cu3AsO4(OH)3 Acta Crystallographica, 1965, 18, 777-787
9015158	CIF	Be D2 O2	P 21 21 21	4.5336; 4.6255; 7.0384 90; 90; 90	147.596	Stahl, R.; Jung, C.; Lutz, H. D.; Kockelmann, W.; Jacobs, H. Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2 und epsilon-Zn(OH)2 Note: Neutron diffraction Zeitschrift fur Anorganische und Allgemeine Chemie, 1998, 624, 1130-1136
9015157	CIF	Ca O3 Sn	P b n m	5.4676; 5.6267; 7.8186 90; 90; 90	240.536	Zhao, J.; Ross, N. L.; Angel, R. J. Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 3.94 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305
9015155	CIF	Fe1.001 Nb0.13 O6 Ta1.871	P 42/m n m	4.7516; 4.7516; 9.2856 90; 90; 90	209.648	Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q2, treated at 600 C for 20 min Mineralogical Magazine, 2006, 70, 319-328
9015152	CIF	C Ca O3	P m c n	4.9672; 8.0157; 5.7938 90; 90; 90	230.684	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 = 275 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236
9015151	CIF	Al Ba0.06 Ca0.23 Fe11.69 K0.68 Mg1.85 Na4.459 O50 P12 Sr0.23	C 1 c 1	16.531; 10.004; 24.644 90; 105.943; 90	3918.77	Steele, I. M. Arrojadite: variations in space group and composition based on four new refinements Sample: arropala General Meeting of the International Mineralogical Association, 2002, 18, MO2-117
9015150	CIF	Ca2.862 O12 Si3 V1.902	I a -3 d	12.089; 12.089; 12.089 90; 90; 90	1766.73	Righter, K.; Sutton, S.; Danielson, L.; Pando, K.; Schmidt, G.; Yang, H.; Berthet, S.; Newville, M.; Choi, Y.; Downs, R. T.; Malavergne, V. The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt pairs and the relation to terrestrial mantle V and Cr content Note: R090044 American Mineralogist, 2011, 96, 1278-1290
9015149	CIF	C Ca O3	P m c n	4.9703; 8.0272; 5.8087 90; 90; 90	231.753	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 = 337 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236
9015148	CIF	Na Nb0.85 O2.925 Ti0.15	P b m a	5.5396; 15.5705; 5.5087 90; 90; 90	475.149	Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A. A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.15 Chemistry of Materials, 2003, 15, 1872-1878
9015144	CIF	Al3 As2 H6 La O14	R -3 m :H	7.0316; 7.0316; 16.5151 90; 90; 120	707.164	Mills, S. J.; Kartashov, P. M.; Kampf, A. R.; Raudsepp, M. Arsenoflorencite-(La), a new mineral from the Komi Republic, Russian Federation: description and crystal structure European Journal of Mineralogy, 2010, 22, 613-621
9015143	CIF	Al0.2 Ba1.6 Ca0.4 F Fe1.4 K0.1 Mg0.9 Mn0.5 Na1.1 Nb0.2 O17 Si4 Sr0.3 Ti1.3	P 1	5.4027; 7.0656; 10.2178 99.816; 99.624; 90.085	378.747	Rastsvetaeva, R. K.; Aksenov, S.; Chukanov, N. Crystal structure of schüllerite, a new mineral of the heterophyllosilicate family Doklady Chemistry, 2011, 437, 90-94
9015142	CIF	C H7 Cl Mg2 O7	R 3 c :H	23.14422; 23.14422; 7.22333 90; 90; 120	3350.84	Sugimoto, K.; Dinnebier, R. E.; Schlecht, T. Chlorartinite, a volcanic exhalation product also found in industrial magnesia screed Note: this is the hydrated chlorartinite Journal of Applied Crystallography, 2006, 39, 739-744
9015141	CIF	Ag As1.89 Mn1.6 Pb2.28 S12 Sb3.15	P 1 21/n 1	19.233; 12.633; 8.476 90; 90.08; 90	2059.42	Bindi, L.; Keutsch, F. N.; Bonazzi, P. Menchettiite, AgPb2.40Mn1.60Sb3As2S12, a new sulfosalt, belonging to the lillianite series from the Uchucchacua polymetallic deposit, Lima Department, Peru Note site occupancy model II American Mineralogist, 2012, 97, 440-446
9015139	CIF	Al K0.985 O4 Si	P 3 1 c	5.1627; 5.1627; 8.7392 90; 90; 120	201.723	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 = 225 K American Mineralogist, 2010, 95, 1027-1034
9015138	CIF	H15.716 K3.762 O41.858 Si10 U4	C 1 2/m 1	14.1957; 14.2291; 9.6305 90; 111.578; 90	1808.95	Fejfarova, K.; Plasil, J.; Yang, H.; Cejka, J.; Dusek, M.; Downs, R. T.; Barkley, M. C.; Skoda, R. Revision of the crystal structure and chemical formula of weeksite, K2(UO2)2(Si5O13)*4H2O American Mineralogist, 2012, 97, 750-754
9015137	CIF	H6 Mg3.84 O19 Si6	P n c n	13.3765; 27.085; 5.2757 90; 90; 90	1911.4	Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G Variability in sepiolite: Diffraction studies Note: Sample NOR225 Note: T = 225 C American Mineralogist, 2011, 96, 1443-1454
9015135	CIF	Ca0.824 F Mn0.725 Na1.176 O8 Si2 Ti1.075 Zr0.2	P 1 21/a 1	10.8044; 9.7945; 7.0532 90; 108.056; 90	709.639	Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N. Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea The Canadian Mineralogist, 2012, 50, 593-609
9015134	CIF	Al5.46 B3 Ca0.54 F0.62 Fe0.02 H3.33 Li0.006 Mg3.5 Na0.42 O30.38 Si5.99 Ti0.06	R 3 m :H	15.973; 15.973; 7.213 90; 90; 120	1593.75	Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Uvite 52210 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266
9015131	CIF	Al0.666 O	F m -3 m	3.95; 3.95; 3.95 90; 90; 90	61.63	Verwey, E. J. W. Structure of the electrolytical oxide layer on aluminium Note: known as gamma-Al2O3 Zeitschrift fur Kristallographie, 1935, 91, 317-320
9015130	CIF	H8 O12 S2 U	P n m a	14.674; 11.093; 5.688 90; 90; 90	925.885	Kierkegaard, P. The crystal structure of U(SO4)2*4H2O Acta Chemica Scandinavica, 1956, 10, 599-616
9015129	CIF	Ba0.02 Ca0.88 H12.88 K1.34 Na1.64 Nb1.12 O34.44 Si8 Sr0.04 Ti2.88	C 1 2/m 1	14.529; 14.203; 7.899 90; 117.37; 90	1447.53	Azarova, Y. V.; Shlyukova, Z. V.; Zolotarev, A. A.; Organova, N. I. Burovaite-Ca, (Na,K)4Ca2(Ti,Nb)8[Si4O12]4(OH,O)8*12H2O, a new labuntsovite-group mineral species and its place in low-temperature mineral formation in pegmatites of the Khibiny Pluton, Kola Peninsula, Russia Geology of Ore Deposits, 2009, 51, 774-783
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
9015099	CIF	Ca10 O24 P6 Se	P -3	9.5007; 9.5007; 6.8406 90; 90; 120	534.732	Henning, P. A.; Adolfsson, E.; Grins, J. The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se Zeitschrift fur Kristallographie, 2000, 215, 226-230
9015097	CIF	Bi2.5 Cu Pb2.5 S7	P b m n	14.387; 21.011; 4.046 90; 90; 90	1223.05	Kohatsu, I.; Wuensch, B. J. The crystal structure of nuffieldite, Pb2Cu(Pb,Bi)Bi2S7 Zeitschrift fur Kristallographie, 1973, 138, 343-365
9015096	CIF	Al2.925 H6.147 K0.876 Na0.071 O14.049 S2	R -3 m :H	6.9771; 6.9771; 17.36 90; 90; 120	731.864	Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P. Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 100 C Mineralogical Magazine, 2012, 76, 613-623
9015095	CIF	As3 Rh	I m -3	8.4507; 8.4507; 8.4507 90; 90; 90	603.501	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
9015092	CIF	As2 Fe0.37 Ni0.63	P n n m	5.3971; 6.1893; 2.9539 90; 90; 90	98.673	Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Acta Chemica Scandinavica A, 1979, 33, 469-480
9015091	CIF	Ba0.5 Cu O10 Si4 Sr0.5	P 4/n c c :2	7.39428; 7.39428; 15.8573 90; 90; 90	867.004	Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 250 K European Journal of Mineralogy, 2007, 19, 189-200
9015090	CIF	Al7.53 B3.18 Ca0.03 F0.63 Fe0.03 H3.33 Li1.02 Mn0.39 Na0.66 O30.36 Si5.82	R 3 m :H	15.846; 15.846; 7.119 90; 90; 120	1548.06	Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Elbaite 55224 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266
9015088	CIF	Al H0.08 O2	A m a m	3.693; 12.221; 2.865 90; 90; 90	129.304	Hill, R. J. Hydrogen atoms in boehmite: A single crystal X-ray diffraction and molecular orbital study Clays and Clay Minerals, 1981, 29, 435-445
9015087	CIF	O2 Si	P 41 21 2	4.9501; 4.9501; 6.9259 90; 90; 90	169.709	Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T. New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 0.2 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first
9015086	CIF	Al0.78 Ca1.5 H54.64 O45.32 P3 V5.22	I -4 3 m	15.441; 15.441; 15.441 90; 90; 90	3681.51	Kampf, A. R.; Nash, B. P.; Loomis, T. A. Phosphovanadylite-Ca, Ca[V44+P2O8(OH)8]*12H2O, the Ca analogue of phosphovanadylite-Ba American Mineralogist, 2013, 98, 439-443
9015085	CIF	Al1.356 Be3 Fe0.384 H10.944 Mg0.258 Na0.425 O18.912 Si6	P 6/m c c	9.2909; 9.2909; 9.1996 90; 90; 120	687.726	Groat, L. A.; Rossman, G. R.; Dyar, M. D.; Turner, D.; Piccoli, P. M. B.; Schultz, A. J.; Ottolini, L. Crystal chemistry of dark blue aquamarine from the True Blue showing, Yukon Territory, Canada Note: X-ray The Canadian Mineralogist, 2010, 48, 597-613
9015084	CIF	Al2 Ca6 H64 O50 S3	P 3 1 c	11.229; 11.229; 21.478 90; 90; 120	2345.34	Goetz-Neunhoeffer F; Neubauer, J. Refined ettringite (Ca6Al2(SO4)3(OH)12*26H2O) structure for quantitative X-ray diffraction analysis Powder Diffraction, 2006, 21, 4-11
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
9015081	CIF	C13	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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
9015054	CIF	Ca O3 Sn	P b n m	5.4538; 5.6162; 7.8006 90; 90; 90	238.93	Zhao, J.; Ross, N. L.; Angel, R. J. Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 5.18 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305
9015053	CIF	Cu1.894 H8 O11 Pb1.934 S1.15 Se0.85	P 1 21/m 1	9.802; 5.675; 9.281 90; 102.443; 90	504.141	Kampf, A. R.; Mills, S. J.; Housley, R. M. The crystal structure of munakataite, Pb2Cu2(Se4+O3)(SO4)(OH)4, from Otto Mountain, San Bernardino County, California, USA Mineralogical Magazine, 2010, 74, 991-998
9015051	CIF	Al1.46 Fe0.537 Mg1.002 O4	F d -3 m :2	8.1698; 8.1698; 8.1698 90; 90; 90	545.298	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 550 C Annealing time = 35,340 min European Journal of Mineralogy, 2012, 24, 633-643
9015050	CIF	Be O	P 63 m c	2.705; 2.705; 4.3927 90; 90; 120	27.835	Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 763 K Journal of Applied Physics, 1986, 59, 3728-3733
9015048	CIF	Ag4.5 Bi7.4 Pb0.6 S16 Sb1.5	C 1 2/m 1	13.515; 4.098; 26 90; 93; 90	1438.02	Ilinca, G.; Makovicky, E. Note on the definition of borodayevite [Ag5(Fe,Pb)Bi7]13(Sb,Bi)2S17 Note: This structure is based on a theoretical construct, (11P), and is probably not an good model for borodayevite Neues Jahrbuch fur Mineralogie, Monatshefte, 1997, 1997, 337-353
9015046	CIF	Ba O9 Si3 Ti	P -6 c 2	6.6031; 6.6031; 9.71 90; 90; 120	366.645	Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 2.14 GPa American Mineralogist, 2012, 97, 1749-1763
9015045	CIF	H2 O	R -3 :R	7.78; 7.78; 7.78 113.1; 113.1; 113.1	304.25	Kamb, B. Ice II: A proton-ordered form of ice Note: T = -75 C, P = 0.3 GPa Acta Crystallographica, 1964, 17, 1437-1449
9015042	CIF	H14 O14 S Zn4	P -3	8.33; 8.33; 10.54 90; 90; 120	633.375	Groat, L. A. The crystal structure of namuwite, a mineral with Zn in tetrahedral and octahedral coordination, and its relationship to the synthetic basic zinc sulfates Note: U(1,2) for S has been changed to match symmetry constraints. American Mineralogist, 1996, 81, 238-243
9015040	CIF	As3 Fe4 O21	P -4 3 m	7.98; 7.98; 7.98 90; 90; 90	508.17	Mills, S. J.; Hager, S. L.; Leverett, P.; Williams, P. A.; Raudsepp, M. The structure of H3O+ - exchanged pharmacosiderite Mineralogical Magazine, 2010, 74, 487-492
9015039	CIF	Al6.56 Ca2.44 Fe12 Mg0.44 Mn12.2 Na15.13 O120 P30	P 1 c 1	13.4517; 12.5266; 26.6765 90; 101.582; 90	4403.57	Tait, K. T.; Ercit, T. S.; Abdu, Y. A.; Cerny, P.; Hawthorne, F. C. The crystal structure and crystal chemistry of manitobaite, ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba Note: green sample The Canadian Mineralogist, 2011, 49, 1221-1242
9015037	CIF	Fe1.4 Mn0.6 O4 Si	P b n m	4.84857; 10.55545; 6.14054 90; 90; 90	314.266	Redfern, S. A. T.; Knight, K. S.; Henderson, C. M. B.; Wood, B. J. Fe-Mn cation ordering in fayalite-tephroite (FexMn1-x)2SiO4 olivines: A neutron diffraction study Mineralogical Magazine, 1998, 62, 607-615
9015035	CIF	Al7.239 B3 Ca0.487 F0.709 Fe0.111 H3.291 Li1.287 Mn0.363 Na0.435 O30.291 Pb0.022 Si6 Ti0.003	R 3 m :H	15.8636; 15.8636; 7.1119 90; 90; 120	1549.96	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L1, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9015034	CIF	C0.2 H2.912 Al0.4 O3.056 Zn0.6	R -3 m :H	3.06616; 3.06616; 22.6164 90; 90; 120	184.138	Lozano, R. P.; Rossi, C.; La Iglesia, A.; Matesanz, E. Zaccagnaite-3R, a new Zn-Al hydrotalcite polytype from El Soplao cave (Cantabria, Spain) Note: polytype zaccagnaite-3R American Mineralogist, 2012, 97, 513-523
9015033	CIF	La O6 Ta Ti	P n m a	10.942; 7.5831; 5.4614 90; 90; 90	453.156	Thorogood, G. J.; Avdeev, M.; Kennedy, B. J. Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide Solid State Sciences, 2010, 12, 1263-1269
9015032	CIF	Fe O3 Si	P -1	6.628; 7.467; 22.607 115.32; 80.56; 95.49	997.26	Weber, H. P. Ferrosilite III, the high-temperature polymorph of FeSiO3 Acta Crystallographica, Section C, 1983, 39, 1-3
9015031	CIF	Dy0.03 Er0.05 Gd0.02 H2 O4 Si0.73 Y0.78 Yb0.12	I -4 2 d	6.947; 6.947; 6.133 90; 90; 90	295.984	Malcherek, T.; Mihailova, B.; Schluter, J.; Husdal, T. Atelisite-(Y), a new rare earth defect silicate of the KDP structure type European Journal of Mineralogy, 2012, 24, 1053-1060
9015030	CIF	Al7.191 B3 Ca0.51 F0.752 Fe0.027 H3.248 Li1.359 Mn0.423 Na0.408 O30.248 Pb0.026 Si6	R 3 m :H	15.853; 15.853; 7.12 90; 90; 120	1549.65	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L12, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9015028	CIF	B F4 H4 N	P n m a	9.077; 5.679; 7.279 90; 90; 90	375.22	Caron, A. P.; Ragle, J. L. Refinement of the structure of orthorhombic ammonium tetrafluoroborate, NH4BF4 Acta Crystallographica, Section B, 1971, 27, 1102-1107
9015026	CIF	Fe5 Si3	P 63/m c m	6.7169; 6.7169; 4.696 90; 90; 120	183.483	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 = 4.5 GPa Solid State Sciences, 2004, 6, 673-678
9015025	CIF	Al Ca0.66 F5	C 1 2/c 1	8.601; 6.2903; 7.219 90; 114.61; 90	355.091	Balic-Zunic T; Garavelli, A.; Mitolo, D.; Acquafredda, P.; Leonardsen, E. Jakobssonite, CaAlF5, a new mineral from fumaroles at the Eldfell and Hekla volcanoes, Iceland Mineralogical Magazine, 2012, 76, 751-760
9015024	CIF	Mg0.125 O1.872 Zr0.875	F m -3 m	5.0858; 5.0858; 5.0858 90; 90; 90	131.546	Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 3, O displaced along [111] Acta Crystallographica, Section B, 1988, 44, 116-120
9015023	CIF	Mg1.92 O4 Si0.98	F d -3 m :2	8.0976; 8.0976; 8.0976 90; 90; 90	530.969	Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 489 K American Mineralogist, 2012, 97, 573-582
9015020	CIF	Al1.46 Fe0.538 Mg O4	F d -3 m :2	8.1701; 8.1701; 8.1701 90; 90; 90	545.359	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 = 3 min European Journal of Mineralogy, 2012, 24, 633-643
9015019	CIF	Fe	F m -3 m	3.49; 3.49; 3.49 90; 90; 90	42.509	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 M620, P = 23.17 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420
9015015	CIF	H6 Na2 O18 Si6 Zr	P b c m	7.1312; 14.6853; 14.6349 90; 90; 90	1532.62	Grigor'eva, A. A.; Zubkova, N. V.; Pekov, I. V.; Kolitsch, U.; Pushcharovsky, D. Y.; Vigasina, M. F.; Giester, G.; Dordevic, T.; Tillmanns, E.; Chukanov, N. V. Crystal chemistry of elpidite from Kahn Bogdo (Mongolia) and its K- and Rb-exchanged forms Crystallography Reports, 2011, 56, 832-841
9015014	CIF	Bi2 Pb3 S6	P b n m	10.891; 22.638; 3.9926 90; 90; 90	984.377	Olsen, L. A.; Balic Zunic, T.; Makovicky, E. High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 7.92 GPa Note: occupancies not refined Note: phase known as beta-Pb3Bi2S6 Inorganic Chemistry, 2008, 47, 6756-6762
9015011	CIF	B Ca H O3	P 1 21/a 1	8.643; 9.523; 3.567 90; 119.23; 90	256.206	Miura, H.; Kusachi, I. Crystal structure of sibirskite (CaHBO3) by Monte Carlo simulation and Rietveld refinement Journal of Mineralogical and Petrological Sciences, 2008, 103, 156-160
9015010	CIF	Cl3 Fe0.52 Na21.48 O40 S10	I -4 3 d	15.882; 15.882; 15.882 90; 90; 90	4006.04	Demartin, F.; Campostrini, I.; Castellano, C.; Gramaccioli, C. M.; Russo, M. D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3, two new minerals from volcanic fumaroles Mineralogical Magazine, 2012, 76, 2773-2783
9015009	CIF	Ag3 S3 Sb	R 3 c :H	11.0464; 11.0464; 8.7211 90; 90; 120	921.602	Laufek, F.; Sejkora, J.; Dusek, M. The role of silver in the crystal structure of pyrargyrite: single crystal X-ray diffraction study Journal of Geosciences, 2010, 55, 161-167
9015008	CIF	B4 La4 O15 Si3	P 31 2 1	6.827; 6.827; 6.779 90; 90; 120	273.625	Belokoneva, E. L.; Shuvaeva, V. A.; Antipin M Yu; Leonyuk, N. I. Crystal structure of a high-temperature modification of LaBSiO5, a synthetic analog of stillwellite Note: T = 473 K Zhurnal Neorganicheskoi Khimii, 1996, 41, 1097-1101
9015007	CIF	Fe Nb0.2 O6 Ta1.8	P 42/m n m	4.7515; 4.7515; 9.254 90; 90; 90	208.925	von Heidenstam, O. Neutron and X-ray diffraction studies on tapiolite and some synthetic substances of trirutile structure Note: Crystal A Note: Stalex diffractometer Arkiv for Kemi, 1968, 28, 375-387
9015006	CIF	Al7.188 B3 Ca0.628 F0.702 Fe0.021 H3.298 Li1.584 Mn0.207 Na0.297 O30.298 Pb0.023 Si6	R 3 m :H	15.8456; 15.8456; 7.1066 90; 90; 120	1545.29	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L5, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9015003	CIF	H8 O11 Sr V3	P 1 21/m 1	5.313; 10.495; 8.568 90; 91.14; 90	477.657	Bindi, L.; Carbone, C.; Cabella, R.; Lucchetti, G. Bassoite, SrV3O7*4H2O, a new mineral from Molinello mine, Val Graveglia, eastern Liguria, Italy Mineralogical Magazine, 2011, 75, 2677-2686
9015002	CIF	P2 Pt	P a -3	5.6956; 5.6956; 5.6956 90; 90; 90	184.764	Furuseth, S.; Selte, K.; Kjekshus, A. On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2 Acta Chemica Scandinavica, 1967, 21, 527-536
9015000	CIF	Cr2 O3	R -3 c :H	4.957; 4.957; 13.5923 90; 90; 120	289.242	Sawada, H. Residual electron density study of chromium sesquioxide by crystal structure and scattering factor refinement Note: anharmonic/atomic scattering factor refinement Materials Research Bulletin, 1994, 29, 239-245
9014998	CIF	C H2 Cu0.94 Mg1.06 O5	P 1 21/a 1	12.9181; 9.3923; 3.1622 90; 111.233; 90	357.626	Perchiazzi, N. Crystal structure determination and Rietveld refinement of rosasite and mcguinnessite Zeitschrift fur Kristallographie Supplement, 2006, 23, 505-510
9014995	CIF	Al K0.983 O4 Si	P 3 1 c	5.156; 5.156; 8.745 90; 90; 120	201.334	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 = 150 K American Mineralogist, 2010, 95, 1027-1034
9014993	CIF	C H5 Cl Mg2 O6	R 3 c :H	22.6791; 22.6791; 7.22336 90; 90; 120	3217.52	Sugimoto, K.; Dinnebier, R. E.; Schlecht, T. Crystal structure of dehydrated chlorartinite by X-ray powder diffraction Note: this is a dehydrated chlorartinite Powder Diffraction, 2007, 22, 64-67
9014990	CIF	Al1.463 Fe0.537 Mg1.002 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 = 60 min European Journal of Mineralogy, 2012, 24, 633-643
9014989	CIF	Al1.609 Fe0.389 Mg O4	F d -3 m :2	8.1465; 8.1465; 8.1465 90; 90; 90	540.646	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 = 21 min European Journal of Mineralogy, 2012, 24, 633-643
9014987	CIF	Mo O3	P b n m	3.9624; 13.86; 3.6971 90; 90; 90	203.041	Sitepu, H. Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: March model Powder Diffraction, 2009, 24, 315-326
9014986	CIF	H2 O	R -3 c :R	7.6; 7.6; 7.6 70.1; 70.1; 70.1	375.394	Engelhardt, H.; Kamb, B. Structure of ice IV, a metastable high-pressure phase Note: T = 110 K, synthesized at 4-5.5 kb Journal of Chemical Physics, 1981, 75, 5887-5899
9014985	CIF	Mg1.86 O4 Si0.94	F d -3 m :2	8.1031; 8.1031; 8.1031 90; 90; 90	532.051	Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 685 K American Mineralogist, 2012, 97, 573-582
9014984	CIF	Al6.696 B3 F0.03 Fe1.2 H3.91 Li0.009 Mg1.032 Mn0.039 Na0.49 O30.97 Si5.952 Ti0.009	R 3 m :H	15.9476; 15.9476; 7.1578 90; 90; 120	1576.53	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 TK42 European Journal of Mineralogy, 2012, 24, 695-715
9014983	CIF	Mg O3 Si	P b c a	17.933; 8.595; 5.0766 90; 90; 90	782.477	Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 8.26(6) GPa American Mineralogist, 2012, 97, 1741-1748
9014982	CIF	Al7.287 B3 Ca0.685 F0.684 Fe0.06 H3.315 Li1.617 Mn0.036 Na0.245 O30.315 Pb0.01 Si6 Ti0.003	R 3 m :H	15.8307; 15.8307; 7.1013 90; 90; 120	1541.23	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L16, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9014981	CIF	Ca4.16 Ce0.3 F2.96 La0.16 Mn0.02 Na2.08 Nb0.29 Nd0.08 O15.04 Pr0.04 Si4 Sr0.02 Ti0.67 Y0.08 Zr0.04	P 1 21/c 1	7.4132; 5.6816; 18.8455 90; 101.37; 90	778.173	Camara, F.; Sokolova, E.; Hawthorne, F. C. From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample H-08-02 Mineralogical Magazine, 2011, 75, 2755-2774
9014979	CIF	Al6.03 B3 Ca0.04 F0.61 Fe0.87 H3.39 Li0.12 Mg1.83 Mn0.09 Na0.88 O30.39 Si6 Ti0.03	R 3 m :H	15.955; 15.955; 7.153 90; 90; 120	1576.93	Clark, C. M.; Hawthorne, F. C.; Ottolini, L. Fluor-dravite, NaMg3Al6Si6O18(BO3)3(OH)3F, a new mineral species of the tourmaline group from the Crabtree Emerald mine, Mitchell County, North Carolina: Description and crystal structure The Canadian Mineralogist, 2011, 49, 57-62
9014978	CIF	Ag4 As5.78 S15 Sb1.22 Tl5	P -1	8.92; 9.429; 20.062 79.66; 88.84; 62.72	1471.6	Bindi, L.; Nestola, F.; Guastoni, A.; Peruzzo, L.; Ecker, M.; Carampin, R. Raberite, Ti5Ag4As6SbS15, a new Ti-bearing sulfosalt from Lengenbach quarry, Binn valley, Switzerland: description and crystal structure Mineralogical Magazine, 2012, 76, 1153-1163
9014977	CIF	Fe0.093 Mg0.908 O3 Si	P 1 21/c 1	17.87; 8.526; 4.9485 90; 92.88; 90	752.999	Zhang, J. S.; Dera, P.; Bass, J. D. A new high-pressure phase transition in natural Fe-bearing orthoenstatite Note: P = 14.26 GPa American Mineralogist, 2012, 97, 1070-1074
9014976	CIF	Ca4.71 F3 Mn0.67 Na1.62 O15 Si4 Ti0.26 Zr0.74	P -1	10.934; 10.991; 7.366 109.43; 109.6; 83.56	786.429	Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N. Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea The Canadian Mineralogist, 2012, 50, 593-609
9014975	CIF	Ba0.636 Cu O10 Si4 Sr0.364	P 4/n c c :2	7.403; 7.403; 15.9357 90; 90; 90	873.347	Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .636 European Journal of Mineralogy, 2010, 22, 411-423
9014974	CIF	B11 Ca0.301 H7 O22 Sr1.699	P 1 21 1	6.7127; 20.704; 6.6276 90; 119.209; 90	803.98	Grice, J. D.; Pring, A. Veatchite: structural relationships of the three polytypes Note: high-T polytype veatchite-1M, formally known as veatchite-p American Mineralogist, 2012, 97, 489-495
9014973	CIF	As2.544 Ca2.01 Mg0.446 Mn1.554 Na0.99 O12 V0.456	I a -3 d	12.4829; 12.4829; 12.4829 90; 90; 90	1945.12	Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097
9014971	CIF	B5 Ca2 H7 O13	P 1 21/c 1	11.58; 6.9844; 12.352 90; 110.573; 90	935.309	Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X. Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 173 K The Canadian Mineralogist, 2011, 49, 823-834
9014968	CIF	Cu5 H2 O14 Pb2.04 Te2	P 21 n m	5.2; 9.6225; 11.534 90; 90; 90	577.127	Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.; Thorne, B. Lead-tellurium oxysalts from Otto Mountain near Baker, California: V. Timroseite, Pb2Cu2+5(Te6+O6)2(OH)2, and paratimroseite, Pb2Cu2+4(Te6+O6)2(H2O)2, two new tellurates with Te-Cu polyhedral sheets American Mineralogist, 2010, 95, 1560-1568
9014967	CIF	As Fe2 H19 O18 S	P -1	7.549; 10.305; 10.904 115.136; 99.798; 92.864	749.581	Majzlan, J.; Lazic, B.; Armbruster, T.; Johnson, M. B.; White, M. A.; Fisher, R. A.; Plasil, J.; Loun, J.; Skoda, R.; Novak, M. Crystal structure, thermodynamic properties, and paragenesis of bukovskyite, Fe2(AsO4)(SO4)(OH)*9H2O Journal of Mineralogical and Petrological Sciences, 2012, 107, 133-148
9014962	CIF	Al0.55 Ca2 Fe1.45 O5	I 2 m b	5.383; 14.61; 5.592 90; 90; 90	439.786	Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 0.0001 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504
9014961	CIF	As Cl2 H O3 Pb2	P 1 21/m 1	6.4235; 5.5399; 9.321 90; 90.767; 90	331.663	Siidra, O. I.; Chukanov, N. V.; Pekov, I. V.; Krivovichev, S. V.; Magganas, A.; Katerinopoulos, A.; Voudouris, P. Pb2(AsO2OH)Cl2, a new phase from the Lavrion ancient slags, Greece: occurrence and characterization Mineralogical Magazine, 2012, 76, 597-602
9014960	CIF	Al2.9 Fe0.04 H2 K0.86 Mg0.06 Na0.1 O12 Si3	C 1 2/c 1	5.1906; 9.008; 20.047 90; 95.757; 90	932.608	Guven, N. The crystal structures of 2M1 phengite and 2M1 muscovite Note: sample 2M1 muscovite Zeitschrift fur Kristallographie, 1971, 134, 196-212
9014959	CIF	Al1.611 Fe0.391 Mg O4	F d -3 m :2	8.1473; 8.1473; 8.1473 90; 90; 90	540.806	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 550 C Annealing time = Untreated min European Journal of Mineralogy, 2012, 24, 633-643
9014956	CIF	Ba O9 Si3 Ti	P 3 1 c	11.3177; 11.3177; 9.6293 90; 90; 120	1068.17	Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 5.29 GPa American Mineralogist, 2012, 97, 1749-1763
9014954	CIF	La0.09 Na1.74 Nb2 O6	P b c m	5.51; 5.5563; 15.567 90; 90; 90	476.587	Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G. Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = .58, La.09Na1.74Nb2O6 Inorganic Materials, 2004, 40, 1324-1330
9014953	CIF	Al2 Mg3 O12 Si3	I a -3 d	11.5291; 11.5291; 11.5291 90; 90; 90	1532.45	Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 972.9 K American Mineralogist, 2011, 96, 1593-1605
9014952	CIF	Cl2 Fe	R -3 m :H	3.592; 3.592; 17.384 90; 90; 120	194.246	Vettier, C.; Yelon, W. B. The structure of FeCl2 at high pressures Note: P = 3.15 kbar Journal of Physics and Chemistry of Solids, 1975, 36, 401-405
9014946	CIF	Ca0.44 H22 Na1.56 O25 V5	C 1 2/m 1	19.848; 10.1889; 13.1184 90; 130.187; 90	2026.68	Kampf, A. R.; Hughes, J. M.; Marty, J.; Nash, B. Gunterite, Na4(H2O)16(H2V10O28)*6H2O, a new mineral species with a doubly-protonated decavanadate polyanion: crystal structure and descriptive mineralogy The Canadian Mineralogist, 2011, 49, 1243-1251
9014945	CIF	Fe S0.5 Se0.5	P 63 m c	3.521; 3.521; 5.901 90; 90; 120	63.356	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
9014944	CIF	C Fe O3	R -3 c :H	4.514; 4.514; 13.34 90; 90; 120	235.402	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 P14, P = 41.2 GPa Physical Review B, 2010, 82, 064110-064118
9014943	CIF	C Ca O3	P m c n	4.9614; 7.9954; 5.7668 90; 90; 90	228.76	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 = 154 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236
9014942	CIF	Ni P	P b c a	6.036; 4.8684; 6.8788 90; 90; 90	202.138	Dera, P.; Lazarz, J. D.; Lavina, B. Pressure-induced development of bonding in NiAs type compounds and polymorphism of NiP Note: P = 1.29 GPa Journal of Solid State Chemistry, 2011, 184, 1997-2003
9014941	CIF	Al6.741 B3 Ca0.02 F0.1 Fe1.23 H3.09 K0.02 Mg0.978 Na0.86 O30.9 Si5.94 Ti0.111 Zn0.009	R 3 m :H	15.929; 15.929; 7.183 90; 90; 120	1578.39	Ertl, A.; Marschall, H.; Geister, G.; Henry, D.; Schertl, H. P.; Ntaflos, T.; Luvizotto, G.; Nasdala, L.; Tillmanns, E. Metamorphic ultrahigh-pressure tourmaline: structure, chemistry, and correlations to P-T conditions American Mineralogist, 2010, 95, 1-10
9014940	CIF	Mn O4 V2	F d -3 m :1	8.52; 8.52; 8.52 90; 90; 90	618.47	Plumier, R. Magnetisme - Etude par diffraction des neutrons du compose spinelle MnV2O4 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1962, 255, 2244-2246
9014939	CIF	Al Ca0.984 Fe10.54 K0.902 Mg2.46 Na4.858 O50 P12	C 1 c 1	16.549; 10.053; 24.618 90; 106.55; 90	3925.95	Steele, I. M. Arrojadite: variations in space group and composition based on four new refinements Sample: red06ye General Meeting of the International Mineralogical Association, 2002, 18, MO2-117
9014938	CIF	Ca0.002 Fe0.01 Mn0.993 S	F -4 3 m	5.601; 5.601; 5.601 90; 90; 90	175.71	Ma, C.; Beckett, J. R.; Rossman, G. R. Browneite, MnS, a new sphalerite-group mineral from the Zaklodzie meteorite American Mineralogist, 2012, 97, 2056-2059
9014935	CIF	C Ca O3	P m c n	4.9713; 8.0311; 5.8141 90; 90; 90	232.128	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 = 359 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236
9014934	CIF	Cu O	C 1 2/c 1	4.6732; 3.477; 5.119 90; 98.5625; 90	82.25	Calos, N. J.; Forrester, J. S.; Schaffer, G. B. A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 34 min Journal of Solid State Chemistry, 1996, 122, 273-280
9014933	CIF	Fe O4 Sb2	P 42/m	7.8498; 7.8498; 5.7452 90; 90; 90	354.016	Hinrichsen, B.; Dinnebier, R. E.; Rajiv, P.; Hanfland, M.; Grzechnik, A.; Jansen, M. Advances in data reduction of high-pressure X-ray powder diffraction data from two-dimensional detectors: a case study of schafarzikite (FeSb2O4) Note: P = 10.5 GPa, this is denoted as Phase III Journal of Physics: Condensed Matter, 2006, 18, S1021-S1037
9014931	CIF	Ba Cu O10 Si4	P 4/n c c :2	7.442; 7.442; 16.133 90; 90; 90	893.5	Giester, G.; Rieck, B. Effenbergerite, BaCu[Si4O10], a new mineral from the Kalahari Manganese Field, South Africa: description and crystal structure Mineralogical Magazine, 1994, 58, 663-670
9014930	CIF	Bi0.15 Ca0.65 F Na1.11 O6 Ta2	F d -3 m :2	10.4451; 10.4451; 10.4451 90; 90; 90	1139.56	Witzke, T.; Steins, M.; Doering, T.; Schuckmann, W.; Wegner, R.; Pollmann, H. Fluornatromicrolite, (Na,Ca,Bi)2Ta2O6F, a new mineral species from Quixaba, Paraiba, Brazil The Canadian Mineralogist, 2011, 49, 1105-1110
9014929	CIF	Ca O14.249 Si4 V	P n m a	9.609; 13.6833; 9.7559 90; 90; 90	1282.73	Danisi, R. M.; Armbruster, T.; Lazic, B. In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 75 C American Mineralogist, 2012, 97, 1874-1880
9014928	CIF	As3 Ca4 H9 O16	P 1 21/c 1	5.822; 10.175; 22.8816 90; 96.902; 90	1345.66	Yang, H.; Evans, S. H.; Downs, R. T.; Jenkins, R. A. The crystal structure of vladimirite, with a revised chemical formula, Ca4(AsO4)2(AsO3OH)*4H2O Note: Sample R080001 The Canadian Mineralogist, 2011, 49, 1055-1064
9014927	CIF	Al6 B3 Ca0.05 F0.038 Fe0.231 H3.42 K0.01 Mg2.769 Na0.711 O30.962 Si6	R 3 m :H	15.921; 15.921; 7.175 90; 90; 120	1575.05	Bacik, P.; Uher, P.; Ertl, A.; Jonsson, E.; Nysten, P.; Kanicky, V.; Vaculovic, T. Zoned REE-enriched dravite from a granitic pegmatite in Forshammar Bergslagen Province, Sweden: An EMPA, XRD and LA-ICP-MS study Sample: TSW an3 (rim) The Canadian Mineralogist, 2012, 50, 825-841
9014926	CIF	Ag As Mn S3	P 43 2 2	5.4496; 5.4496; 32.949 90; 90; 90	978.524	Bonazzi, P.; Keutsch, F. N.; Bindi, L. Manganoquadratite, AgMnAsS3, a new manganese-bearing sulfosalt from the Uchucchacua polymetallic deposit, Lima Department, Peru: Description and crystal structure American Mineralogist, 2012, 97, 1199-1205
9014925	CIF	Ba O9 Si3 Ti	P -6 c 2	6.6094; 6.6094; 9.7239 90; 90; 120	367.871	Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 1.12 GPa American Mineralogist, 2012, 97, 1749-1763
9014924	CIF	Ba0.105 Cu O10 Si4 Sr0.895	P 4/n c c :2	7.36858; 7.36858; 15.6346 90; 90; 90	848.896	Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .105 European Journal of Mineralogy, 2010, 22, 411-423
9014923	CIF	Al1.463 Fe0.538 Mg1.003 O4	F d -3 m :2	8.1708; 8.1708; 8.1708 90; 90; 90	545.499	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 = 120 min European Journal of Mineralogy, 2012, 24, 633-643
9014921	CIF	Fe Ge O3	C 1 2/c 1	9.785; 9.1324; 5.1924 90; 101.751; 90	454.271	Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G. Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 4 K American Mineralogist, 2012, 97, 694-706
9014919	CIF	H12 Mg3.84 O22 Si6	P n c n	13.4074; 27.0244; 5.2767 90; 90; 90	1911.89	Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G Variability in sepiolite: Diffraction studies Note: Sample NOR25 Note: T = 25 C American Mineralogist, 2011, 96, 1443-1454
9014918	CIF	Ca6 Cl0.286 H1.72 O12.714 Si3	P -1	6.8126; 6.9416; 12.9412 90.582; 97.552; 98.251	600.143	Armbruster, T.; Lazic, B.; Gfeller, F.; Galuskin, E. V.; Galuskina, I. O.; Savelyeva, V. B.; Zadov, A. E.; Pertsev, N. N.; Dzierzanowski, P. Chlorine content and crystal chemistry of dellaite from the Birkhin gabbro massif, Eastern Siberia, Russia Note: Cl-containing dellaite Mineralogical Magazine, 2011, 75, 379-394
9014916	CIF	Al7.407 B3 Ca0.032 F0.48 Fe0.018 H3.33 K0.004 Li0.483 Mn1.143 Na0.773 O30.52 Si5.826 Ti0.006	R 3 m :H	15.941; 15.941; 7.136 90; 90; 120	1570.42	Ertl, A.; Hughes, J. M.; Prowatke, S.; Rossman, G. R.; London, D.; Fritz, E. A. Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and relations to synthetic solid solutions Note: This sample may be named wrong Sample P6 American Mineralogist, 2003, 88, 1369-1376
9014915	CIF	Al90 Ca36 Cl3 H12 K9 Na21 O470 S26 Si90	P 3	12.913; 12.913; 79.605 90; 90; 120	11495.4	Rastsvetaeva, R. K.; Chukanov, N. V. Model of the crystal structure of biachellaite as a new 30-layer member of the cancrinite group Crystallography Reports, 2008, 53, 981-988
9014914	CIF	As0.06 H4 Mn5 O12 P1.76 Si0.18	P 21 21 21	17.9733; 5.6916; 9.13 90; 90; 90	933.97	Elliott, P.; Pring, A. The crystal structure of gatehouseite Mineralogical Magazine, 2011, 75, 2823-2832
9014913	CIF	B La O5 Si	P 31	6.874; 6.874; 6.717 90; 90; 120	274.869	Chi, L.; Chen, H.; Zhuang, H.; Huang, J. Crystal structure of LaBSiO5 Journal of Alloys and Compounds, 1997, 252, L12-L15
9014911	CIF	Ca0.055 Fe0.08 Mg0.055 Mn0.215 Na4.75 Nb0.255 O13 P Si2 Ta0.005 Ti1.415 Zr0.055	P -1	5.417; 7.119; 14.487 99.957; 96.711; 90.36	546.286	Camara, F.; Sokolova, E.; Hawthorne, F. C.; Abdu, Y. From structure topology to chemical composition. IX. Titanium silicates: revision of the crystal chemistry of lomonosovite and murmanite, Group-IV minerals Mineralogical Magazine, 2008, 72, 1207-1228
9014910	CIF	Cu2 O7 V2	P 1	7.687; 5.54982; 10.09 104; 110.45; 46.17	290.958	Yashima, M.; Suzuki, R. O. Electronic structure and magnetic properties of monoclinic beta-Cu2V2O7: A GGA+U study Note: this is a modification of the monoclinic structure from the Calvo & Faggiani (1975) paper, in the triclinic setting Physical Review B, 2009, 79, 125201-125206
9014909	CIF	C1.72 H18 O10	F d -3 m :1	17.175; 17.175; 17.175 90; 90; 90	5066.29	Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R. Gas hydrate single-crystal structure analyses Sample: (C3H8)8(H2O)136, T = 123 K Journal of the American Chemical Society, 2004, 126, 9407-9412
9014907	CIF	C2 H5 N O	R 3 c :H	11.513; 11.513; 12.883 90; 90; 120	1478.85	Jeffrey, G. A.; Ruble, J. R.; McMullan, R. K.; DeFrees, D. J.; Binkley, J. S.; Pople, J. A. Neutron diffraction at 23 K and ab initio molecular-orbital studies of molecular structure of acetamide Note: T = 23 K Acta Crystallographica, Section B, 1980, 36, 2292-2299
9014906	CIF	Ca0.51 Fe0.33 Mg0.35 Mn3.81 O15 Si5	P -1	6.6818; 7.633; 11.795 105.49; 92.49; 94.01	577.092	Leverett, P.; Williams, P. A.; Hibbs, D. E. Ca-Mg-Fe-rich rhodonite from the Morro da Mina mine, Conselheiro Lafaiete, Minas Gerais, Brazil The Mineralogical Record, 2008, 39, 125-130
9014905	CIF	Cl F6 Pb3.5	P -6	10.267; 10.267; 3.9844 90; 90; 120	363.731	Merlino, S.; Pasero, M.; Perchiazzi, N.; Kampf, A. R. Laurelite: Its crystal structure and relationship to alpha-PbF2 American Mineralogist, 1996, 81, 1277-1281
9014904	CIF	C0.771 H1.998 Al2.91 Ca0.6 Na3.255 O15.312 Si3.09	P 63	12.617; 12.617; 5.129 90; 90; 120	707.091	Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# mmf28962 The Canadian Mineralogist, 2012, 49, 1129-1150
9014903	CIF	Al1.98 Ca0.69 Cr0.02 Fe1.08 Mg1.23 O12 Si3	I a -3 d	11.6044; 11.6044; 11.6044 90; 90; 90	1562.67	Nestola, F.; Merli, M.; Nimis, P.; Parisatto, M.; Kopylova, M.; De Stefano, A.; Longo, M.; Ziberna, L.; Manghnani, M. In situ analysis of garnet inclusion in diamond using single-crystal X-ray diffraction and X-ray micro-tomography Note: Parameters transformed to room conditions from pressure effect of diamond European Journal of Mineralogy, 2012, 24, 599-606
9014902	CIF	F H O Zn	P n m a	10.228; 3.1125; 4.7165 90; 90; 90	150.148	Crichton, W. A.; Parise, J. B.; Muller, H.; Breger, J.; Marshall, W. G.; Welch, M. D. Synthesis and structure of magnesium hydroxide fluoride, Mg(OH)F: a topological intermediate between brucite- and rutile-type structures Note: transformed from Serier et al (2007) Mineralogical Magazine, 2012, 76, 25-36
9014901	CIF	C2 H30 Mg O18 S2	R -3 :H	9.2715; 9.2715; 21.1298 90; 90; 120	1572.99	Genceli Guner, F. E.; Lutz, M.; Sakurai, T.; Spek, A. L.; Hondoh, T. Crystallization and characterization of magnesium methanesulfonate hydrate Mg(CH3SO3)2*12H2O Note: T = 110 K Crystal Growth & Design, 2010, 10, 4327-4333
9014899	CIF	C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3	P 63	12.266; 12.266; 4.864 90; 90; 120	633.768	Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 6.16 GPa American Mineralogist, 2012, 97, 872-882
9014898	CIF	O3 V2	R -3 c :H	4.9199; 4.9199; 13.9787 90; 90; 120	293.029	Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 28.3 kbar Journal of Applied Physics, 1980, 51, 5362-5367
9014896	CIF	Al1.61 Fe0.389 Mg1.001 O4	F d -3 m :2	8.1465; 8.1465; 8.1465 90; 90; 90	540.646	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 = 9 min European Journal of Mineralogy, 2012, 24, 633-643
9014894	CIF	Ba O7 Si2 Zn2	C c m 21	7.6199; 13.0265; 6.7374 90; 90; 90	668.759	Lin, J. H.; Lu, G. X.; Du, J.; Su, M. Z.; Loong, C. K.; Richardson, J. W. Phase transition and crystal structure of BaZn2Si2O7 Note: T = 350 C Journal of Physics and Chemistry of Solids, 1999, 60, 975-983
9014893	CIF	O3 V2	R -3 c :H	4.9018; 4.9018; 13.969 90; 90; 120	290.675	Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 47 kbar Journal of Applied Physics, 1980, 51, 5362-5367
9014892	CIF	Ba Cu2 O7 Si2	P n m a	6.86058; 13.17507; 6.89589 90; 90; 90	623.31	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
9014891	CIF	C Ca O3	R -3 c :H	4.978; 4.978; 17.211 90; 90; 120	369.357	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 = 318 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236
9014890	CIF	Ca1.78 Fe1.72 H2 Mg3.5 Na1.06 O24 Si8	C 1 2/m 1	9.66; 17.781; 5.233 90; 106.03; 90	863.894	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 = 4.84 GPa American Mineralogist, 2010, 95, 1042-1051
9014889	CIF	Ba0.985 Ca0.002 Mg0.002 O4 S Sr0.007	P b n m	7.15505; 8.88101; 5.45447 90; 90; 90	346.599	Antao, S. M. Structural trends for celestite (SrSO4), anglesite (PbSO4), and barite (BaSO4): confirmation of expected variations within SO4 groups American Mineralogist, 2012, 97, 661-665
9014888	CIF	Al1.99 Ca2 Cr0.46 Fe0.08 Mg0.45 Mn0.02 O14 Si3	C 1 2/m 1	19.1558; 5.9125; 8.844 90; 97.448; 90	993.209	Hamada, M.; Akasaka, M.; Seto, S.; Makino, K. Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan Sample: ocp1013 American Mineralogist, 2010, 95, 1294-1304
9014887	CIF	C Ca0.997 O3 Sr0.003	P m c n	4.9692; 7.9873; 5.7796 90; 90; 90	229.395	Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 471 K American Mineralogist, 2012, 97, 707-712
9014886	CIF	Fe O7 Ti3	I m m 2	9.9522; 2.7397; 5.9953 90; 90; 90	163.468	Nishio-Hamane D; Zhang, M.; Yagi, T.; Ma, Y. High-pressure and high-temperature phase transitions in FeTiO3 and a new dense FeTi3O7 structure Note: P = 61 GPa, T = 300 K American Mineralogist, 2012, 97, 568-572
9014885	CIF	Al0.76 Cr0.24 Nb O4	C 1 2/m 1	12.1886; 3.7748; 6.5033 90; 107.72; 90	285.018	Ardit, M.; Dondi, M.; Cruciani, G. Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N37 American Mineralogist, 2012, 97, 910-917
9014884	CIF	Ca4 Na4 O18 Si6	R -3 m :H	10.429; 10.429; 13.149 90; 90; 120	1238.54	Fischer, R. X.; Tillmanns, E. Die Kristallstrukturen von naturlichem Na2Ca2Si3O9 vom Mt.Shaheru (Zaire) und aus dem Mayener Feld (Eifel) Note: this is the high-temperature form of combeite Neues Jahrbuch fur Mineralogie, Monatshefte, 1983, 1983, 49-59
9014883	CIF	Al8.61 B3.546 H3 Li0.39 Na0.68 O31 Si5.454	R 3 m :H	15.765; 15.765; 7.083 90; 90; 120	1524.53	Ertl, A.; Giester, G.; Ludwig, T.; Meyer, H. P.; Rossman, G. R. Synthetic B-rich olenite: Correlations of single-crystal structural data Note: sample ElbK-13 American Mineralogist, 2012, 97, 1591-1597
9014882	CIF	Bi4 Cu0.26 Pb3.867 S10	P n m a	23.894; 4.0616; 19.143 90; 90; 90	1857.79	Topa, D.; Makovicky, E. The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 2 The Canadian Mineralogist, 2010, 48, 1081-1107
9014881	CIF	Fe Nb0.2 O6 Ta1.8	P 42/m n m	4.7515; 4.7515; 9.254 90; 90; 90	208.925	von Heidenstam, O. Neutron and X-ray diffraction studies on tapiolite and some synthetic substances of trirutile structure Note: Crystal A Note: Curran spectrometer Arkiv for Kemi, 1968, 28, 375-387
9014880	CIF	Fe2 O3	R -3 c :H	5.0143; 5.0143; 13.6733 90; 90; 120	297.731	Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 31.4 kbar Journal of Applied Physics, 1980, 51, 5362-5367
9014877	CIF	C Ca O3	R -3 c :H	4.974; 4.974; 17.243 90; 90; 120	369.449	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 = 359 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236
9014875	CIF	Al7.194 B3 Ca0.563 F0.694 Fe0.015 H3.306 Li1.461 Mn0.33 Na0.354 O30.306 Pb0.026 Si6	R 3 m :H	15.8529; 15.8529; 7.1101 90; 90; 120	1547.47	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L2, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9014872	CIF	H K0.27 Mn2 O9.47 Si3.36	A 1 2/a 1	5.533; 13.565; 25.09 90; 94; 90	1878.55	Eggleton, R. A.; Guggenheim, S. A re-examination of the structure of ganophyllite Mineralogical Magazine, 1986, 50, 307-315
9014871	CIF	B7 Cl Mg3 O13	P c a 21	8.54; 8.54; 12.07 90; 90; 90	880.284	Ito, T.; Morimoto, N.; Sadanaga, R. The crystal structure of boracite Acta Crystallographica, 1951, 4, 310-316
9014870	CIF	Fe S4 Sb2	P n a m	11.1825; 13.753; 3.7359 90; 90; 90	574.555	Periotto, B.; Balic-Zunic T; Nestola, F. The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 2.63 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218
9014869	CIF	Fe0.999 Nb0.13 O6 Ta1.871	P 42/m n m	4.7506; 4.7506; 9.2811 90; 90; 90	209.458	Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q5, treated at 600 C for 650 min Mineralogical Magazine, 2006, 70, 319-328
9014864	CIF	Al7.209 B3 Ca0.583 F0.648 Fe0.015 H3.351 Li1.491 Mg0.06 Mn0.033 Na0.345 O30.351 Pb0.006 Si6 Ti0.009	R 3 m :H	15.8449; 15.8449; 7.1053 90; 90; 120	1544.87	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L13, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9014863	CIF	Al2 Mg3 O12 Si3	I a -3 d	11.473; 11.473; 11.473 90; 90; 90	1510.19	Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 472.6 K American Mineralogist, 2011, 96, 1593-1605
9014860	CIF	Mg O3 Si	P b c a	18.158; 8.78; 5.1574 90; 90; 90	822.23	Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 1.23(4) GPa American Mineralogist, 2012, 97, 1741-1748
9014859	CIF	Fe0.85 Mg0.49 Mn1.66 O8 P2	P 1 21/c 1	6.088; 4.814; 10.484 90; 89.42; 90	307.245	Hatert, F.; Roda-Robles E; de Parseval, P.; Wouters, J. Zavaliaite, (Mn2+,Fe2+,Mg)3(PO4)2, a new member of the sarcopside group from La Empleada pegmatite, San Luis Province, Argentina The Canadian Mineralogist, 2012, 50, 1445-1452
9014858	CIF	Be O	P 63 m c	2.6983; 2.6983; 4.3776 90; 90; 120	27.602	Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: Crystal no. 2 in air Journal of Applied Physics, 1986, 59, 3728-3733
9014857	CIF	H6 Mg O6 Si	P 21 21 21	4.976; 5.023; 7.115 90; 89.89; 90	177.835	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 P2_12_12_1 American Mineralogist, 2012, 97, 1043-1048
9014856	CIF	Ca4.25 F Fe0.18 Na1.57 Nb0.57 O17 Si4 Zr1.43	P 1 21 1	10.836; 10.27; 7.296 90; 109.13; 90	767.103	Bellezza, M.; Merlino, S.; Perchiazzi, N. Distinct domains in "guarinite" from Monte Somma, Italy: Crystal structures and crystal chemistry Note: "Guarinite" Domain II The Canadian Mineralogist, 2012, 50, 531-548
9014854	CIF	Al0.66 Ca1.96 Fe0.12 Mg0.24 Na0.04 O7 Si1.3	P -4 21 m	7.738; 7.738; 5.045 90; 90; 90	302.078	Mokeeva, V.; Makarov, E. Isomorph in melilites: refining of crystal structure of akermanite and intermediate melilite Geokhimiya, 1979, 10, 1541-1544
9014853	CIF	Al2 Ca0.68 H4 O10 Si2 Sr0.32	P 1 21/m 1	5.33; 13.1956; 5.8449 90; 123.96; 90	340.967	Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU62 American Mineralogist, 2010, 95, 724-735
9014851	CIF	Fe	F m -3 m	3.473; 3.473; 3.473 90; 90; 90	41.89	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 M620, P = 26.55 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420
9014850	CIF	Cr2 O3	R -3 c :H	4.9371; 4.9371; 13.53 90; 90; 120	285.609	Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 18.6 kbar Journal of Applied Physics, 1980, 51, 5362-5367
9014848	CIF	As Ca Cu0.96 H Mg0.04 O5	P 21 21 21	7.3849; 5.8379; 9.1937 90; 90; 90	396.362	Sakai, S.; Yoshiasa, A.; Sugiyama, K.; Miyawaki, R. Crystal structure and chemistry of conichalcite, CaCu(AsO4)(OH) Journal of Mineralogical and Petrological Sciences, 2009, 104, 125-131
9014847	CIF	Cs2 H9.5 O37.75 Se4 U7	P 1 21/m 1	9.1381; 15.0098; 15.1732 90; 91.171; 90	2080.74	Wylie, E. M.; Burns, P. C. Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 4 The Canadian Mineralogist, 2012, 50, 147-157
9014846	CIF	Mg1.84 O4 Si0.95	F d -3 m :2	8.1164; 8.1164; 8.1164 90; 90; 90	534.676	Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 635 K American Mineralogist, 2012, 97, 573-582
9014844	CIF	C D K O3	P 1 21/a 1	15.17; 5.6183; 3.6885 90; 104.297; 90	304.633	Thomas, J. O.; Tellgren, R.; Olovsson, I. Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 219 K Acta Crystallographica, Section B, 1974, 30, 1155-1166
9014842	CIF	Ag0.308 Bi4 Cu0.358 Pb3.643 S10	P n m a	23.846; 4.0559; 19.066 90; 90; 90	1844.01	Topa, D.; Makovicky, E. The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 5 The Canadian Mineralogist, 2010, 48, 1081-1107
9014841	CIF	C2.878 H11.38 O5	F d -3 m :1	17.1925; 17.1925; 17.1925 90; 90; 90	5081.79	Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R. Gas hydrate single-crystal structure analyses Sample: (C3H8)8(CH4)14.9(H2O)136, T = 163 K Journal of the American Chemical Society, 2004, 126, 9407-9412
9014840	CIF	Ca4 F2 O7 Si2	P 1 21/c 1	7.55; 10.43; 10.85 90; 69.93; 90	802.515	Smirnova, R. F.; Rumanova, I. M.; Belov, N. V. Crystal structure of cuspidine Zapiski Vsesoyuznogo Mineralogicheskogo Obshchestva, 1955, 84, 159-169
9014839	CIF	Al2 Ca0.79 H4 O10 Si2 Sr0.21	P 1 21/m 1	5.3032; 13.174; 5.8436 90; 123.76; 90	339.416	Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: run #AU63 American Mineralogist, 2010, 95, 724-735
9014838	CIF	C Ca O3	P m c n	4.9586; 7.9867; 5.7547 90; 90; 90	227.903	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 = 92 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236
9014836	CIF	Al6 As0.078 Bi0.276 Ca8.935 Cl0.4 Mn4.579 O38.63 Si9	P 4/n n c :2	15.5948; 15.5948; 11.7794 90; 90; 90	2864.72	Groat, L. A.; Evans, R. J. Crystal chemistry of Bi- and Mn-bearing vesuvianite from Langban, Sweden Note: sample vesuvianite 1 American Mineralogist, 2012, 97, 1627-1634
9014833	CIF	C Ca0.997 O3 Sr0.003	P m c n	4.9638; 7.9698; 5.7545 90; 90; 90	227.651	Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 359 K American Mineralogist, 2012, 97, 707-712
9014832	CIF	O4 Si Zn2	R -3 :H	13.971; 13.971; 9.334 90; 90; 120	1577.81	Simonov, M. A.; Sandomirskii, P. A.; Egorov-Tismenko Y K; Belov, N. V. The crystal structure of willemite Zn2[SiO4] Doklady Akademii Nauk SSSR, 1977, 237, 581-584
9014831	CIF	Al1.611 Fe0.39 Mg O4	F d -3 m :2	8.1472; 8.1472; 8.1472 90; 90; 90	540.786	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 550 C Annealing time = 52,620 min European Journal of Mineralogy, 2012, 24, 633-643
9014830	CIF	Al K0.985 O4 Si	P 3 1 c	5.1665; 5.1665; 8.7248 90; 90; 120	201.687	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 = 298 K American Mineralogist, 2010, 95, 1027-1034
9014829	CIF	Bi3.92 Cu4 S9	P b n m	31.68; 11.659; 3.972 90; 90; 90	1467.09	Bente, K.; Kupcik, V. Redetermination and refinement of the structure of tetrabismuth tetracopper enneasulphide Cu4Bi4S9 Acta Crystallographica, Section C, 1984, 40, 1985-1986
9014828	CIF	Fe2.16 Mg0.31 O4 Si0.53	I m m a	5.8319; 11.8873; 8.3522 90; 90; 90	579.021	Woodland, A. B.; Angel, R. J.; Koch, M. Structural systematics of spinel and spinelloid phases in the system MFe2O4-M2SiO4 with M = Fe2+ and Mg Sample: 8f5v0128, Spinelloid-III European Journal of Mineralogy, 2012, 24, 657-668
9014827	CIF	Ca1.78 Fe1.72 H2 K0.1 Mg3.5 Na1.06 O24 Si8	C 1 2/m 1	9.806; 17.999; 5.296 90; 105.43; 90	901.043	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 = 0.26 GPa American Mineralogist, 2010, 95, 1042-1051
9014826	CIF	Al2 Co O4	F d -3 m :2	8.10559; 8.10559; 8.10559 90; 90; 90	532.542	Ardit, M.; Cruciani, G.; Dondi, M. Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.072, Co content = 1.00 apfu American Mineralogist, 2012, 97, 1394-1401
9014825	CIF	C H O4 Y	P 21 21 21	6.9591; 4.8141; 8.4722 90; 90; 90	283.834	Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334
9014824	CIF	Cr2 O3	R -3 c :H	4.69; 4.69; 12.972 90; 90; 120	247.106	Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 50.2 GPa American Mineralogist, 2012, 97, 1764-1770
9014823	CIF	C H2 Cu1.2 O5 Zn0.8	P 1 21/a 1	12.8976; 9.3705; 3.1623 90; 110.262; 90	358.536	Perchiazzi, N. Crystal structure determination and Rietveld refinement of rosasite and mcguinnessite Zeitschrift fur Kristallographie Supplement, 2006, 23, 505-510
9014822	CIF	Ag Pb S6 Sb3	P 1 21/c 1	19.1686; 17.16; 13.042 90; 90.008; 90	4289.95	Nespolo, M.; Ozawa, T.; Kawasaki, Y.; Sugiyama, K. Structural relations and pseudosymmetries in the andorite homologous series Journal of Mineralogical and Petrological Sciences, 2012, 107, 226-243
9014821	CIF	Al1.61 Fe0.389 Mg1.001 O4	F d -3 m :2	8.1479; 8.1479; 8.1479 90; 90; 90	540.925	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 750 C Annealing time = 120 min European Journal of Mineralogy, 2012, 24, 633-643
9014820	CIF	Fe1.1 Mg0.75 Mn0.15 O4 Si	P b n m	4.822; 10.46; 6.101 90; 90; 90	307.723	Hazen, R. M. Effects of temperature and pressure on the crystal structure of ferromagnesian olivine T = 600 deg C, P = 1 atm American Mineralogist, 1977, 62, 286-295
9014819	CIF	C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3	P 63	12.62; 12.62; 5.083 90; 90; 120	701.083	Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 0.0001 GPa (P-DAC) American Mineralogist, 2012, 97, 872-882
9014818	CIF	H8 O12 P2 Zn3	P b n m	5.0135; 10.6044; 18.2828 90; 90; 90	972.008	Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wenger, G. The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates Note: alpha-hopeite Chemistry - A European Journal, 2004, 10, 2795-2803
9014816	CIF	Al2 Co0.75 O4 Zn0.25	F d -3 m :2	8.10011; 8.10011; 8.10011 90; 90; 90	531.463	Ardit, M.; Cruciani, G.; Dondi, M. Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.049, Co content = 0.75 apfu American Mineralogist, 2012, 97, 1394-1401
9014810	CIF	Cr2 O3	R -3 c :H	4.8949; 4.8949; 13.432 90; 90; 120	278.714	Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 8.1 GPa American Mineralogist, 2012, 97, 1764-1770
9014809	CIF	Be O	P 63 m c	2.714; 2.714; 4.405 90; 90; 120	28.099	Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 1073 K Journal of Applied Physics, 1986, 59, 3728-3733
9014808	CIF	Al5.805 B3 Ca0.09 F0.35 Fe0.48 H3.65 K0.01 Mg2.643 Mn0.06 Na0.84 Ni0.021 O30.65 Si5.982 Ti0.021 Zn0.009	R 3 m :H	15.945; 15.945; 7.21 90; 90; 120	1587.5	Ertl, A.; Marschall, H.; Geister, G.; Henry, D.; Schertl, H. P.; Ntaflos, T.; Luvizotto, G.; Nasdala, L.; Tillmanns, E. Metamorphic ultrahigh-pressure tourmaline: structure, chemistry, and correlations to P-T conditions American Mineralogist, 2010, 95, 1-10
9014807	CIF	Al3.804 Ca1.359 H15.36 O31.68 Si8.304 Sr0.291	R -3 m :R	9.421; 9.421; 9.421 94.2; 94.2; 94.2	829.077	Calligaris, M.; Nardin, G.; Randaccio, L. Cation-site location in a natural chabazite Acta Crystallographica, Section B, 1982, 38, 602-605
9014803	CIF	Be H2 O2	P 21 21 21	4.5328; 4.6252; 7.0379 90; 90; 90	147.55	Stahl, R.; Jung, C.; Lutz, H. D.; Kockelmann, W.; Jacobs, H. Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2 und epsilon-Zn(OH)2 Note: combined X-ray and Neutron diffraction Zeitschrift fur Anorganische und Allgemeine Chemie, 1998, 624, 1130-1136
9014802	CIF	Al0.64 Cu3 Fe0.36 K3 O18 S4	I 1 2 1	18.772; 4.967; 18.468 90; 101.66; 90	1686.43	Krivovichev, S. V.; Filatov, S. K.; Cherepansky, P. N. The crystal structure of alumoklyuchevskite, K3Cu3AlO2(SO4)4 Kamchatka Peninsula, Russia, 1975-1976 Geology of Ore Deposits, 2009, 51, 656-662
9014801	CIF	Ca1.88 Fe1.91 H2 K0.54 Mg3.19 O24 Si8	C 1 2/m 1	9.737; 17.873; 5.264 90; 105.76; 90	881.653	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: DL5 P = 3.65 GPa American Mineralogist, 2010, 95, 1042-1051
9014800	CIF	C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3	P 63	12.386; 12.386; 4.954 90; 90; 120	658.186	Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 3.59 GPa American Mineralogist, 2012, 97, 872-882
9014799	CIF	Ni3 Sn	P m -3 m	3.7349; 3.7349; 3.7349 90; 90; 90	52.1	Rowe, R.; Grice, J. D.; Poirier, G.; Stanley, C. J.; Horvath, L. Nisnite, Ni3Sn, a new nickel mineral species from the Jeffrey mine, Asbestos, Quebec The Canadian Mineralogist, 2011, 49, 651-656
9014798	CIF	Al0.04 Ca9 F0.84 H0.16 Mg0.96 O27.16 P6.97	R 3 c :H	10.3394; 10.3394; 37.0836 90; 90; 120	3433.23	Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H. Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds Sample number R070654 The Canadian Mineralogist, 2011, 49, 1065-1078
9014797	CIF	Co4 In0.2 Sb12	I m -3	9.05294; 9.05294; 9.05294 90; 90; 90	741.94	He, T.; Chen, J.; Rosenfeld, H. D.; Subramanian, M. A. Thermoelectric properties of indium-filled skutterudites Chemistry of Materials, 2006, 18, 759-762
9014795	CIF	Al7.335 B3 Ca0.688 F0.729 Fe0.03 H3.27 Li1.596 Mn0.033 Na0.239 O30.27 Pb0.009 Si6 Ti0.003	R 3 m :H	15.8293; 15.8293; 7.1003 90; 90; 120	1540.74	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L18, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9014794	CIF	La0.52 Na0.48 Nb2 O6	P m m m	3.921; 3.923; 7.8651 90; 90; 90	120.982	Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G. Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = .16 Inorganic Materials, 2004, 40, 1324-1330
9014793	CIF	Ba0.66 Bi0.02 Ca0.02 Ce0.04 Cs0.03 H6.068 La0.04 Mn0.04 Nb0.1 Nd0.04 O8.92 Pb0.02 Si0.04 Sn0.1 Sr0.54 Ta1.75 Ti0.01 U0.2	F d -3 m :2	10.454; 10.454; 10.454 90; 90; 90	1142.48	Andrade, M. B.; Atencio, D.; Chukanov, N. V.; Ellena, J. Hydrokenomicrolite, ([_],H2O)2Ta2(O,OH)6(H2O), a new microlite-group mineral from Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil American Mineralogist, 2013, 98, 292-296
9014791	CIF	As2 Ca2 Fe3 H32.148 K0.602 Mo8 O53.074	C 1 2/m 1	19.44; 11.096; 15.25 90; 131.28; 90	2472.06	Schmetzer, K.; Nuber, B.; Tremmel, G. Betpakdalite from Tsumeb, Namibia: mineralogy, crystal chemistry and structure Neues Jahrbuch fur Mineralogie, Monatshefte, 1984, 1984, 393-403
9014789	CIF	Fe	F m -3 m	3.521; 3.521; 3.521 90; 90; 90	43.651	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 M620, P = 17.59 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420
9014786	CIF	Al2 Ca0.507 H4 O10 Si2 Sr0.493	P 1 21/m 1	5.364; 13.2175; 5.8452 90; 124.25; 90	342.553	Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU82 American Mineralogist, 2010, 95, 724-735
9014785	CIF	Mg1.88 O4 Si0.96	F d -3 m :2	8.0947; 8.0947; 8.0947 90; 90; 90	530.398	Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 635 K American Mineralogist, 2012, 97, 573-582
9014784	CIF	Fe H4 K3 O19 S4 Ti	C 1 2/c 1	7.55943; 16.7923; 12.1783 90; 94.076; 90	1542.01	Kampf, A. R.; Mills, S. J.; Housley, R. M.; Williams, P. A.; Dini, M. Alcaparrosaite, K3Ti4+Fe3+(SO4)4O(H2O)2, a new hydrophobic Ti4+ sulfate from Alcaparrosa, Chile Mineralogical Magazine, 2012, 76, 851-861
9014783	CIF	Fe5 Si3	P 63/m c m	6.5771; 6.5771; 4.593 90; 90; 120	172.066	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 = 22.6 GPa Solid State Sciences, 2004, 6, 673-678
9014781	CIF	Al H24 O20 Rb S2	P a -3	12.243; 12.243; 12.243 90; 90; 90	1835.12	Larson, A. C.; Cromer, D. T. Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O Acta Crystallographica, 1967, 22, 793-800
9014779	CIF	As1.78 H20 Mg0.31 Ni0.69 O22 P0.22 U2	I -1	7.1; 7.125; 19.955 92.406; 94.924; 90.42	1004.8	Pekov, I. V.; Levitskiy, V. V.; Krivovichev, S. V.; Zolotarev, A. A.; Bryzgalov, I. A.; Zadov, A. E.; Chukanov, N. V. New nickel-uranium-arsenic mineral species from the oxidation zone of the Belorechenskoye deposit, Northern Caucasus, Russia: I. Rauchite, Ni(UO2)2(AsO4)2*10H2O, a member of the autunite group European Journal of Mineralogy, 2012, 24, 913-922
9014777	CIF	Ca0.2 F O12 P3 Sr4.8	P 63/m	9.845; 9.845; 7.383 90; 90; 120	619.719	Pekov, I. V.; Britvin, S. N.; Zubkova, N. V.; Pushcharovsky, D. Y.; Pasero, M.; Merlino, S. Stronadelphite, Sr5(PO4)3F, a new apatite-group mineral in the southern part of the Khibiny alkaline complex, Kola peninsula, Russia European Journal of Mineralogy, 2010, 22, 869-874
9014776	CIF	As2 Pd	P a -3	5.9855; 5.9855; 5.9855 90; 90; 90	214.438	Furuseth, S.; Selte, K.; Kjekshus, A. On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2 Acta Chemica Scandinavica, 1967, 21, 527-536
9014774	CIF	Ba O3 Ti	A m m 2	3.99; 5.669; 5.682 90; 90; 90	128.523	Shirane, G.; Danner, H.; Pepinsky, R. Neutron diffraction study of orthorhombic BaTiO3 Note: orthorhombic structure Physical Review, 1957, 105, 856-860
9014772	CIF	C Ca O3	R -3 c :H	4.974; 4.974; 17.251 90; 90; 120	369.621	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 = 379 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236
9014771	CIF	Al1.892 Be2.829 Cu0.171 Fe0.108 H0.96 Li0.12 O18.48 Si6	P 6/m c c	9.2483; 9.2483; 9.2193 90; 90; 120	682.893	Adamo, I.; Gatta, G. D.; Rotiroti, N.; Diella, V.; Pavese, A. Gemmological investigation of a synthetic blue beryl: a multi-methodological study Note: Sample: M2-3 Mineralogical Magazine, 2008, 72, 799-808
9014770	CIF	Al2 Ca0.273 H4 O10 Si2 Sr0.727	P 1 21/m 1	5.3962; 13.2461; 5.8505 90; 124.39; 90	345.092	Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU91 American Mineralogist, 2010, 95, 724-735
9014767	CIF	Al0.01 Ca0.19 F1.03 Fe1.73 H0.73 K0.98 Mg3.09 Mn0.04 Na1.81 O22.97 Si8 Ti0.12 Zn0.01	C 1 2/m 1	9.9591; 17.9529; 5.2867 90; 104.34; 90	915.783	Oberti, R.; Boiocchi, M.; Hawthorne, F. C.; Robinson, P. Crystal structure and crystal chemistry of fluoro-potassic-magnesio-arfvedsonite from Monte Metocha, Xixano region, Mozambique, and discussion of the holotype from Quebec, Canada Mineralogical Magazine, 2010, 74, 951-960
9014766	CIF	Ca H12 O17 Si2 U2	P 1 21/a 1	13.947; 15.465; 6.626 90; 91.3; 90	1428.8	Barinova, A. V.; Rastsvetaeva, R. K.; Sidorenko, G. A.; Verin, I. A. Crystal structure of beta-uranophane from the Transbaikal region and its relation to the structure of the a modification Crystallography Reports, 2003, 48, 12-15
9014765	CIF	O4 Si Zn2	R -3 :R	8.628; 8.628; 8.628 107.87; 107.87; 107.87	521.689	Hang, C.; Simonov, M. A.; Belov, N. V. Crystal structures of willemite Zn2[SiO4] and its germanium analog Zn2[GeO4] Soviet Physics Crystallography, 1970, 15, 387-390
9014764	CIF	Ca2 Fe2 O5	P n m a	5.3956; 14.6756; 5.5703 90; 90; 90	441.077	Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 2.249 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504
9014763	CIF	Fe5 Si3	P 63/m c m	6.6904; 6.6904; 4.667 90; 90; 120	180.914	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 = 8.8 GPa Solid State Sciences, 2004, 6, 673-678
9014762	CIF	Ce0.6 Fe0.366 O22 Si4 Sr3.4 Ti3.724 Zr0.91	C 1 2/m 1	13.973; 5.6984; 11.988 90; 114.1; 90	871.327	Yang, Z.; Giester, G.; Ding, K.; Tillmanns, E. Hezuolinite, (Sr,REE)4Zr(Ti,Fe3+,Fe2+)2Ti2O8(Si2O7)2, a new mineral species of the chevkinite group from Saima alkaline complex, Liaoning Province, NE China European Journal of Mineralogy, 2012, 24, 189-196
9014761	CIF	C Fe O3	R -3 c :H	4.587; 4.587; 14.258 90; 90; 120	259.805	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 P6, P = 18.37 GPa Physical Review B, 2010, 82, 064110-064118
9014760	CIF	Br0.13 Cl4.87 K0.94 Pb2 Tl0.06	P 1 21/c 1	8.8989; 7.9717; 12.5624 90; 90.022; 90	891.169	Mitolo, D.; Pinto, D.; Garavelli, A.; Bindi, L.; Vurro, F. The role of the minor substitutions in the crystal structure of natural challacolloite, KPb2Cl5, and hephaistosite, TiPb2Cl5, from Vulcano (Aeolian Archipelago, Italy) Mineralogy and Petrology, 2009, 96, 121-128
9014759	CIF	As0.132 Ca2.19 Mn1.978 Na0.81 O12 Si0.18 V2.7	I a -3 d	12.5359; 12.5359; 12.5359 90; 90; 90	1970	Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097
9014758	CIF	Mn Te2	P a -3	6.943; 6.943; 6.943 90; 90; 90	334.689	Oftedal, I. Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit Zeitschrift fur Physikalische Chemie, 1928, 135, 291-299
9014756	CIF	Ba O3 Ti	R 3 m :R	4.0041; 4.0041; 4.0041 89.852; 89.852; 89.852	64.196	Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 170 K Journal of Physical Chemistry, 1993, 97, 2368-2377
9014753	CIF	Ru S2	P a -3	6.636; 6.636; 6.636 90; 90; 90	292.226	Oftedal, I. Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit Zeitschrift fur Physikalische Chemie, 1928, 135, 291-299
9014752	CIF HKL	C3 H10 Mg9 O48 Pb8 Si10	C 1 2 1	16.232; 9.373; 14.06 90; 97.36; 90	2121.5	Kolitsch, U.; Merlino, S.; Holtstam, D. Molybdophyllite: crystal chemistry, crystal structure, OD character and modular relationships with britvinite Mineralogical Magazine, 2012, 76, 493-516
9014751	CIF	Fe3 Si	F m -3 m	5.644; 5.644; 5.644 90; 90; 90	179.788	Kanematsu, K. Stability of crystal structure of (Fe,V)3M and (Fe,Ni)3M (M=Si,Ge,Sn) and its analysis based on rigid band model Transactions of the Japan Institute of Metals, 1986, 27, 225-232
9014749	CIF	Al3.312 Ca0.848 H26.44 K0.652 Mg0.66 O37.22 Si8.688	R -3 m :R	9.382; 9.382; 9.382 94.57; 94.57; 94.57	817.498	Passaglia, E.; Ferro, O. Occurrence and crystal structure of magnesian chabazite Studies in Surface Science and Catalysis, 2002, 142, 1729-1735
9014748	CIF	Al2.232 Ba0.027 Cr0.094 Fe0.142 H2 K0.948 Mg0.268 Mn0.002 Na0.051 O12 Si3.252 Ti0.01	C 1 2/c 1	5.2153; 9.043; 19.974 90; 95.789; 90	937.209	Rule, A. C.; Bailey, S. W. Refinement of the crystal structure of phengite-2M1 Clays and Clay Minerals, 1985, 33, 403-409
9014747	CIF	In19 S19.6 Se21.4 Sn12	C 1 2/m 1	56.29; 3.924; 15.916 90; 102.56; 90	3431.43	Topa, D.; Makovicky, E. Structures and classification of indium sulfosalts, and the crystal structure of Sn12In19(Se,S)41 The Canadian Mineralogist, 2012, 50, 397-422
9014746	CIF	Al3.12 As3 Ba0.51 Fe0.88 H4 O18.9	P -4 3 m	7.772; 7.772; 7.772 90; 90; 90	469.46	Mills, S. J.; Rumsey, M. S.; Favreau, G.; Spratt, J.; Raudsepp, M.; Dini, M. Bariopharmacoalumite, a new mineral species from Cap Garonne, France and Mina Grande, Chile Mineralogical Magazine, 2011, 75, 135-144
9014745	CIF	O6 Ta Tb Ti	P n m a	10.977; 7.414; 5.238 90; 90; 90	426.287	Thorogood, G. J.; Avdeev, M.; Kennedy, B. J. Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide Solid State Sciences, 2010, 12, 1263-1269
9014744	CIF	C Ca O3	R -3 c :H	4.9773; 4.9773; 17.3231 90; 90; 120	371.658	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 = 519 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236
9014743	CIF	Ba O3 Ti	R 3 m :R	4.0036; 4.0036; 4.0036 89.839; 89.839; 89.839	64.172	Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 15 K Journal of Physical Chemistry, 1993, 97, 2368-2377
9014742	CIF	Al1.45 Fe0.55 Mg 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 = 1680 min European Journal of Mineralogy, 2012, 24, 633-643
9014740	CIF	Ca4 F2 O7 Si2	P 1 21/c 1	7.518; 10.521; 10.906 90; 70.7; 90	814.152	Saburi, S.; Kawahara, A.; Henmi, C.; Kusachi, I.; Kihara, K. The refinement of the crystal structure of cuspidine Mineralogical Journal, 1977, 8, 286-298
9014739	CIF	B Cs O6 Si2	I 41/a c d :2	13.019; 13.019; 12.899 90; 90; 90	2186.31	Agakhanov, A. A.; Pautov, L. A.; Karpenko, V. Y.; Sokolova, E.; Hawthorne, F. C. Kirchhoffite, CsBSi2O6, a new mineral species from the Darai-Pioz Alkaline Massif,Tajikistan: Description and crystal structure The Canadian Mineralogist, 2012, 50, 523-529
9014738	CIF	Bi0.36 Ca0.19 Cu H0.64 O4.93 Pb0.43 V	P n a m	7.486; 9.62; 5.881 90; 90; 90	423.522	Krause, W.; Kolitsch, U.; Bernhardt, H. J.; Effenberger, H. Duhamelite discredited Neues Jahrbuch fur Mineralogie, Monatshefte, 2003, 2003, 75-96
9014736	CIF	C O6 Pb2 S2	P n m a	16.326; 8.773; 4.583 90; 90; 90	656.414	Bindi, L.; Nestola, F.; Kolitsch, U.; Guastoni, A.; Zorzi, F. Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting thiosulphate and carbonate groups: description and crystal structure Note: Sample ID FAS-03 Baden-Wurttemberg, Germany Mineralogical Magazine, 2011, 75, 2721-2732
9014735	CIF	Al2 Co0.5 O4 Zn0.5	F d -3 m :2	8.09491; 8.09491; 8.09491 90; 90; 90	530.44	Ardit, M.; Cruciani, G.; Dondi, M. Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.035, Co content = 0.50 apfu American Mineralogist, 2012, 97, 1394-1401
9014734	CIF	Al1.356 Be3 Fe0.384 H10.944 Mg0.258 Na0.432 O18.912 Si6	P 6/m c c	9.258; 9.258; 9.156 90; 90; 120	679.627	Groat, L. A.; Rossman, G. R.; Dyar, M. D.; Turner, D.; Piccoli, P. M. B.; Schultz, A. J.; Ottolini, L. Crystal chemistry of dark blue aquamarine from the True Blue showing, Yukon Territory, Canada Note: neutron The Canadian Mineralogist, 2010, 48, 597-613
9014732	CIF	Fe Nb0.13 O6 Ta1.87	P 42/m n m	4.7533; 4.7533; 9.2773 90; 90; 90	209.61	Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim5_q0, untreated Mineralogical Magazine, 2006, 70, 319-328
9014730	CIF	K2 Mg2 O12 S3	P 21 3	9.919; 9.919; 9.919 90; 90; 90	975.896	Mereiter, K. Refinement of the crystal structure of langbeinite, K2Mg2(SO4)3 Neues Jahrbuch fur Mineralogie, Monatshefte, 1979, 1979, 182-188
9014729	CIF	Al3 Ca2 H O13 Si3	P n m a	16.176; 5.5342; 10.0007 90; 90; 90	895.275	Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 1.144 GPa American Mineralogist, 2012, 97, 1165-1176
9014728	CIF	C Fe O3	R -3 c :H	4.637; 4.637; 14.98 90; 90; 120	278.944	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 P4, P = 7.31 GPa Physical Review B, 2010, 82, 064110-064118
9014726	CIF	H5.38 Na1.581 O17.69 Rb0.2 Si6 Zr	P b c m	7.128; 14.644; 14.642 90; 90; 90	1528.37	Grigor'eva, A. A.; Zubkova, N. V.; Pekov, I. V.; Kolitsch, U.; Pushcharovsky, D. Y.; Vigasina, M. F.; Giester, G.; Dordevic, T.; Tillmanns, E.; Chukanov, N. V. Crystal chemistry of elpidite from Kahn Bogdo (Mongolia) and its K- and Rb-exchanged forms Note: Rb-exchanged at 90 deg C Crystallography Reports, 2011, 56, 832-841
9014725	CIF	Fe2 H6 O13 S Te2	P 21 n b	9.6967; 14.2676; 7.8748 90; 90; 90	1089.47	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
9014724	CIF	Al7.317 B3 Ca0.695 F0.678 Fe0.057 H3.51 Li1.569 Mg0.021 Mn0.033 Na0.24 O30.51 Pb0.007 Si6 Ti0.003	R 3 m :H	15.8299; 15.8299; 7.1009 90; 90; 120	1540.99	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L23, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9014723	CIF	H12 Mg3.592 O22 Si6	P n c n	13.3067; 26.972; 5.2664 90; 90; 90	1890.16	Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G Variability in sepiolite: Diffraction studies Note: Sample BAT25 Note: T = 25 C American Mineralogist, 2011, 96, 1443-1454
9014722	CIF	C0.736 H1.998 Al2.79 Ca0.27 Na3.7 O15.207 Si3.21	P 63	12.618; 12.618; 5.116 90; 90; 120	705.411	Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# 11/1 The Canadian Mineralogist, 2012, 49, 1129-1150
9014721	CIF	Al2.5 Ca0.773 H5.66 Na0.7 O12.83 Si2.5	P b m n	13.0809; 13.0597; 6.6051 90; 90; 90	1128.37	Gatta, G. D.; Kahlenberg, V.; Kaindl, R.; Rotiroti, N.; Cappelletti, P.; de Gennaro, M. Crystal structure and low-temperature behavior of "disordered" thomsonite T = 295.5 K American Mineralogist, 2010, 95, 495-502
9014719	CIF	Cl2 Co	R -3 m :H	3.553; 3.553; 17.359 90; 90; 120	189.778	Wilkinson, M. K.; Cable, J. W.; Wollan, E. O.; Koehler, W. C. Neutron diffraction investigations of the magnetic ordering in FeBr2, CoBr2, FeCl2, and CoCl2 Physical Review, 1959, 113, 497-507
9014718	CIF	O3 Sb	P 1 21/n 1	5.2526; 4.7331; 8.6322 90; 90.8; 90	214.585	Fourquet, J.; Gillet, P.; Le Bail, A. Li/H topotactic exchange on LiSbO3: The series Li(1-x)HxSbO3 (0<=x<=1). _cod_database_code 1000143 Materials Research Bulletin, 1989, 24, 1207-1214
9014717	CIF	Al1.462 Fe0.537 Mg O4	F d -3 m :2	8.169; 8.169; 8.169 90; 90; 90	545.138	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 650 C Annealing time = 93 min European Journal of Mineralogy, 2012, 24, 633-643
9014716	CIF	Cl Cu H O	P 1 21/a 1	5.555; 6.671; 6.127 90; 114.88; 90	205.978	Effenberger, H. Verfeinerung der Kristallstruktur von Kupfer(II)-hydroxichlorid, Cu(OH)Cl Monatshefte fur Chemie, 1984, 115, 725-730
9014715	CIF	Al1.61 Fe0.391 Mg0.999 O4	F d -3 m :2	8.147; 8.147; 8.147 90; 90; 90	540.746	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 750 C Annealing time = 6 min European Journal of Mineralogy, 2012, 24, 633-643
9014714	CIF	B Ca H O5 Si	P 1 21/c 1	4.8355; 7.6102; 9.6317 90; 90.15; 90	354.437	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
9014713	CIF	B8 Cl14 H4 Mn2 O45 Pb36	P m m n :2	12.759; 27.169; 11.515 90; 90; 90	3991.67	Siidra, O. I.; Krivovichev, S. V.; Turner, R. W.; Rumsey, M. S.; Spratt, J. Crystal chemistry of layered Pb oxychloride minerals with PbO-related structures: Part II. Crystal structure of vladkrivovichevite, [Pb32O18][Pb4Mn2O]Cl14(BO3)8*2H2O American Mineralogist, 2013, 98, 256-261
9014712	CIF	Cu3 H8 Mo O8	P 1 21/m 1	9.9904; 5.9934; 5.5255 90; 97.428; 90	328.071	Yang, H.; Jenkins, R. A.; Thompson, R. M.; Downs, R. T.; Evans, S. H.; Bloch, E. M. Markascherite, Cu3(MoO4)(OH)4, a new mineral species polymorphic with szenicsite, from Copper Creek, Pinal County, Arizona, U.S.A. American Mineralogist, 2012, 97, 197-202
9014710	CIF	Nb1.32 O18 Sb5 Ta1.28 Ti0.16 W1.24	C 1 2/c 1	54.116; 4.9143; 5.5482 90; 90.425; 90	1475.46	Hawthorne, F. C.; Cooper, M. A.; Ball, N. A.; Abdu, Y. A.; Cerny, P.; Camara, F.; Laurs, B. M. Billwiseite, ideally Sb3+5(Nb,Ta)3WO18, a new oxide mineral species from the Stak Nala Pegmatite, Nanga Parbat - Haramosh Massif, Pakistan: description and crystal structure The Canadian Mineralogist, 2012, 50, 805-814
9014709	CIF	C H Eu O4	P 21 21 21	7.1002; 4.8932; 8.453 90; 90; 90	293.68	Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334
9014708	CIF	Al2.796 K0.876 Na0.071 O14 S2	R -3 m :H	6.9935; 6.9935; 17.64 90; 90; 120	747.168	Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P. Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 500 C Mineralogical Magazine, 2012, 76, 613-623
9014706	CIF	Al2 Cl H18 N4 Na O18 S4	I 41/a c d :2	18.118; 18.118; 11.32 90; 90; 90	3715.93	Demartin, F.; Gramaccioli, C. M.; Campostrini, I. Adranosite, (NH4)4NaAl2(SO4)4Cl(OH)2, a new ammonium sulfate chloride from La Fossa Crater, Vulcano, Aeolian Islands, Italy The Canadian Mineralogist, 2010, 48, 315-321
9014705	CIF	H5.5 Li Na1.5 O16 Si4 Ti2	C 1 2/c 1	27.483; 8.669; 5.246 90; 90.782; 90	1249.74	Yakovenchuk, V. N.; Ivanyuk, G. Y.; Krivovichev, S. V.; Pakhomovsky, Y. A.; Selivanova, E. A.; Korchak, J. A.; Men'shikov, Y. P.; Drogobuzhskaya, S. V.; Zalkind, O. A. Eliseevite, Na1.5Li[Ti2Si4O12.5(OH)1.5]*2H2O, a new microporous titanosilicate from the Lovozero alkaline massif (Kola Peninsula, Russia) Note y-coordinate for O3 changed from .218 to reproduce reported bond lengths American Mineralogist, 2011, 96, 1624-1629
9014704	CIF	Cl Cu2 H3 O3	P 1 21/n 1	6.1675; 6.8327; 9.1517 90; 99.492; 90	380.379	Malcherek, T.; Schluter, J. Structures of the pseudo-trigonal polymorphs of Cu2(OH)3Cl Note: Sample #1 Acta Crystallographica, Section B, 2009, 65, 334-341
9014702	CIF	C H O4 Sm	P n m a	7.1388; 4.9151; 8.4717 90; 90; 90	297.254	Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334
9014701	CIF	C Ca O3	C 1 2/c 1	12.17; 7.12; 9.47 90; 118.37; 90	722.026	Mugnaioli, E.; Andrusenko, I.; Schuler, T.; Loges, N.; Dinnebier, R. E.; Panthofer, M.; Tremel, W.; Kolb, U. Ab-initio-Strukturbestimmung von Vaterit mit automatischer Beugungstomographie Angewandte Chemie, 2012, 124, 1-6
9014700	CIF	Al H44 Na3 O50 V10	P -1	8.668; 10.295; 12.908 105.826; 97.899; 103.385	1053.06	Rakovan, J.; Schmidt, G. R.; Gunter, M. E.; Nash, B.; Marty, J.; Kampf, A. R.; Wise, W. S. Hughesite, Na3Al(V10O28)*22H2O, a new member of the pascoite family of minerals from the Sunday mine, San Miguel county, Colorado The Canadian Mineralogist, 2011, 49, 1253-1265
9014699	CIF	Al2 Mg3 O12 Si3	I a -3 d	11.5078; 11.5078; 11.5078 90; 90; 90	1523.97	Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 773.1 K American Mineralogist, 2011, 96, 1593-1605
9014695	CIF	Cr O4 Sr	P 1 21/n 1	7.065; 7.375; 6.741 90; 103.08; 90	342.123	Effenberger, H.; Pertlik, F. Four monazite type structures: comparison of SrCrO4, SrSeO4, PbCrO4 (crocoite), and PbSeO4 Zeitschrift für Kristallographie, 1986, 176, 75-83
9014693	CIF	Fe S4 Sb2	P n a m	11.2796; 13.9181; 3.7359 90; 90; 90	586.501	Periotto, B.; Balic-Zunic T; Nestola, F. The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 1.41 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218
9014690	CIF	Ba0.276 Cu O10 Si4 Sr0.724	P 4/n c c :2	7.37735; 7.37735; 15.7266 90; 90; 90	855.925	Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .276 European Journal of Mineralogy, 2010, 22, 411-423
9014689	CIF	As0.154 Cu1.368 Fe2.148 H24 Mg0.222 Ni2.262 O24 Sb1.846	P -3	5.3506; 5.3506; 19.5802 90; 90; 120	485.459	Mills, S. J.; Kampf, A. R.; Housley, R. M.; Favreau, G.; Pasero, M.; Biagioni, C.; Merlino, S.; Berbain, C.; Orlandi, P. Omsite, (Ni,Cu)2Fe3+(OH)6[Sb(OH)6], a new member of the cualstibite group from Oms, France Mineralogical Magazine, 2012, 76, 1347-1354
9014688	CIF	H12 O10 S Zn	C 1 2/c 1	9.9692; 7.2441; 24.2493 90; 98.488; 90	1732.05	Anderson, J. L.; Peterson, R. C.; Swainson, I. The atomic structure of deuterated boyleite ZnSO4*4D2O, ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O American Mineralogist, 2012, 97, 1905-1914
9014685	CIF	Al7 Ca2 H33 O39 P4	P 3 2 1	6.988; 6.988; 16.707 90; 90; 120	706.537	Mills, S. J.; Kampf, A. R.; Sejkora, J.; Adams, P. M.; Birch, W. D.; Plasil, J. Iangreyite: a new secondary phosphate mineral closely related to perhamite Mineralogical Magazine, 2011, 75, 327-336
9014684	CIF	Fe Ge O3	C 1 2/c 1	9.7993; 9.1491; 5.1991 90; 101.891; 90	456.122	Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G. Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 298 K American Mineralogist, 2012, 97, 694-706
9014682	CIF	Bi O4 V	P n c a	5.328; 5.052; 12.003 90; 90; 90	323.085	Granzin, J.; Pohl, D. Refinement of pucherite, BiVO4 Zeitschrift fur Kristallographie, 1969, 169, 289-294
9014680	CIF	C4 H6 Ca O6	P -1	5.9466; 10.2247; 16.6496 72.213; 79.718; 89.791	947.062	Herdtweck, E.; Kornprobst, T.; Sieber, R.; Straver, L.; Plank, J. Crystal structure, synthesis, and properties of tri-calcium di-citrate tetra-hydrate [Ca3(C6H5O7)2(H2O)2]*2H2O Notwe: polymorph of earlandite Zeitschrift fur Anorganische und Allgemeine Chemie, 2011, 637, 655-659
9014678	CIF	As S	P 1 21/n 1	9.065; 13.03; 6.375 90; 106.77; 90	720.971	Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 1.55 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412
9014675	CIF	Cu1.55 Fe0.45 Se2 Tl	I 4/m m m	3.976; 3.976; 13.7 90; 90; 90	216.577	Makovicky, E.; Johan, Z.; Karup-Moller S New data on bukovite, thalcusite, chalcothallite and rohaite Neues Jahrbuch fur Mineralogie, Abhandlungen, 1980, 138, 122-146
9014672	CIF	Fe Ge O3	C 1 2/c 1	9.7848; 9.1369; 5.1936 90; 101.764; 90	454.569	Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G. Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 100 K American Mineralogist, 2012, 97, 694-706
9014670	CIF	Be6 Ca4 H10 Na2 O32 Si8	P 1 21 1	7.1222; 19.8378; 9.8071 90; 111.287; 90	1291.1	Grice, J. D.; Raade, G.; Cooper, M. A. Alflarsenite: Structure and relationship to other Be-Si and zeolite framework structures Note: x-coordinate for O7 changed by authors The Canadian Mineralogist, 2010, 48, 255-266
9014669	CIF	Al2 Mg3 O12 Si3	I a -3 d	11.4572; 11.4572; 11.4572 90; 90; 90	1503.96	Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 295 K American Mineralogist, 2011, 96, 1593-1605
9014668	CIF	Ba O3 Ti	P 4 m m	3.9988; 3.9988; 4.0222 90; 90; 90	64.317	Xiao, C. J.; Jin, C. Q.; Wang, X. H. Crystal structure of dense nanocrystalline BaTiO3 ceramics Note: phase T (tetragonal) Materials Chemistry and Physics, 2008, 111, 209-212
9014665	CIF	H7 Mg O7 P	P b c a	10.215; 10.681; 10.014 90; 90; 90	1092.59	Sutor, D. J. The crystal and molecular structure of newberyite, MgHPO4*3H2O Acta Crystallographica, 1967, 23, 418-422
9014664	CIF	Al0.162 Fe0.18 H4 Mg2.694 O9 Si1.886	P 3 1 m	5.3244; 5.3244; 7.268 90; 90; 120	178.438	Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.; Rossi, A. The crystal chemistry of lizardite-1T from northern Apennines ophiolites near Modena, Italy Note: Pompeano 4, polytype 1T The Canadian Mineralogist, 2011, 49, 1045-1054
9014662	CIF	Al7.191 B3 Ca0.51 F0.753 Fe0.027 H3.246 Li1.359 Mn0.423 Na0.408 O30.246 Pb0.026 Si6	R 3 m :H	15.853; 15.853; 7.12 90; 90; 120	1549.65	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L12, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9014661	CIF	Al0.37 Ca2 Fe1.63 O5	P n m a	5.2953; 14.3759; 5.5037 90; 90; 90	418.968	Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.37 Note: P = 8.89 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504
9014660	CIF	C D K O3	P 1 21/a 1	15.1948; 5.6307; 3.7107 90; 104.567; 90	307.272	Thomas, J. O.; Tellgren, R.; Olovsson, I. Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 298 K Acta Crystallographica, Section B, 1974, 30, 1155-1166
9014655	CIF	Hg I2	P 42/n m c :2	4.37; 4.37; 12.437 90; 90; 90	237.508	Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 293 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835
9014654	CIF	Na0.48 Nb2 Nd0.52 O6	P m m m	3.8972; 3.9086; 7.8057 90; 90; 90	118.901	Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G. Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: Nd2/3-x Na3x Nb2O6 synthesized at 1330 deg C Note: x = .16 Inorganic Materials, 2004, 40, 1324-1330
9014652	CIF	Ge O2	P 32 2 1	4.9858; 4.9858; 5.6473 90; 90; 120	121.574	Yamanaka, T.; Ogata, K. Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 0.0001 GPa T = 293 K Note: quartz structure Journal of Applied Crystallography, 1991, 24, 111-118
9014651	CIF	H3 K O8 S U	P 1 21/c 1	8.0462; 7.9256; 11.3206 90; 107.726; 90	687.651	Plasil, J.; Hlousek, J.; Veselovsky, F.; Fejfarova, K.; Dusek, M.; Skoda, R.; Novak, M.; Cejka, J.; Sejkora, J.; Ondrus, P. Adolfpateraite, K(UO2)(SO4)(OH)(H2O), a new uranyl, sulphate mineral from Jachymov, Czech Republic American Mineralogist, 2012, 97, 447-454
9014650	CIF	As1.38 Ca2.04 Mn1.936 Na0.96 O12 Si0.03 V1.563	I a -3 d	12.5342; 12.5342; 12.5342 90; 90; 90	1969.2	Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097
9014649	CIF	B Ca H O5 Si	P 1 21/c 1	4.8354; 7.6082; 9.6335 90; 90.158; 90	354.403	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
9014648	CIF	C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3	P 63	12.53; 12.53; 5.072 90; 90; 120	689.623	Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 0.99 GPa American Mineralogist, 2012, 97, 872-882
9014647	CIF	O8 Pb2 Te1.25 U0.75	P 1 21/c 1	5.722; 7.7478; 7.889 90; 90.833; 90	349.705	Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.; Thorne, B. Lead-tellurium oxysalts from Otto Mountain near Baker, California: IV. Markcooperite, Pb(UO2)Te6+O6, the first natural uranyl tellurate American Mineralogist, 2010, 95, 1554-1559
9014645	CIF	Ba O3 Ti	A m m 2	3.9855; 5.6738; 5.6903 90; 90; 90	128.674	Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 250 K Journal of Physical Chemistry, 1993, 97, 2368-2377
9014644	CIF	B Be2 F0.04 H0.96 O3.96	P b c a	9.762; 12.201; 4.43 90; 90; 90	527.64	Gatta, G. D.; McIntyre, G. J.; Bromiley, G.; Guastoni, A.; Nestola, F. A single-crystal neutron diffraction study of hambergite, Be2BO3(OH,F) American Mineralogist, 2012, 97, 1891-1897
9014642	CIF	C0.721 H1.998 Al2.76 Ca0.45 Na3.31 O15.162 Si3.24	P 63	12.618; 12.618; 5.144 90; 90; 120	709.272	Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# tz5/1 The Canadian Mineralogist, 2012, 49, 1129-1150
9014641	CIF	Al7.194 B3 Ca0.66 F0.434 Fe0.093 H3.566 Li1.647 Mn0.051 Na0.272 O30.566 Pb0.005 Si6 Ti0.009	R 3 m :H	15.8368; 15.8368; 7.1014 90; 90; 120	1542.44	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L26, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9014640	CIF	Fe Si2	P 4/m m m	2.69; 2.69; 5.08 90; 90; 90	36.759	Phragmen, G. Om jarn-kisellegeringarnas byggnad Jernkontorets Annaler, 1923, 107, 121-131
9014639	CIF	Al0.02 Ca0.3 Fe0.1 H0.25 Na0.08 Nb0.62 O6.48 Pb1.3 Si0.24 Sn0.14 Ta0.82 Ti0.06 U0.04	F d -3 m :2	10.571; 10.571; 10.571 90; 90; 90	1181.27	Bindi, L.; Zoppi, M.; Bonazzi, P. Plumbomicrolite from the Ploskaya Mountain, Keivy Massif, Kola Peninsula, Russia: composition and crystal structure Periodico di Mineralogia, 2006, 76, 51-58
9014637	CIF	Al1.61 Fe0.39 Mg O4	F d -3 m :2	8.1457; 8.1457; 8.1457 90; 90; 90	540.487	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 550 C Annealing time = 2460 min European Journal of Mineralogy, 2012, 24, 633-643
9014636	CIF	Al1.98 Ca0.04 F1.02 Fe1.16 H0.98 Li2.56 Mg1.1 Mn0.08 Na0.73 O22.98 Si8 Zn0.02	C 1 2/m 1	9.372; 17.6312; 5.2732 90; 102.247; 90	851.512	Oberti, R.; Boiocchi, M.; Ball, N. A.; Hawthorne, F. C. Fluoro-sodic-ferropedrizite, NaLi2(Fe2+2Al2Li)Si8O22F2, a new mineral of the amphibole group from the Sutlug River, Tuva Republic, Russia: description and crystal structure Mineralogical Magazine, 2009, 73, 487-494
9014635	CIF	Ba O10 Si3 Yb2	P 1 21/m 1	5.377; 12.1172; 6.79 90; 106.5; 90	424.179	Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E. Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit European Journal of Mineralogy, 2010, 22, 245-258
9014633	CIF	Al1.85 Fe2.958 Mg0.928 Mn Na2.362 O24 P6	P 1 21/n 1	11.91; 12.383; 6.372 90; 114.43; 90	855.614	Hatert, F.; Baijot, M.; Philippo, S.; Wouters, J. Qingheiite-(Fe2+), Na2Fe2+MgAl(PO4)3, a new phosphate mineral from the Sebastiao Cristino pegmatite, Minas Gerais, Brazil European Journal of Mineralogy, 2010, 22, 459-467
9014632	CIF	Ca4 F Fe0.08 Hf0.01 Mg0.03 Na2 Nb0.97 O17 Si4 Ti0.09 Zr0.9	P 1 21 1	10.8459; 10.226; 7.2727 90; 109.332; 90	761.136	Chakhmouradian, A. R.; Mitchell, R. H.; Burns, P. C.; Mikhailova, Y.; Reguir, E. P. Marianoite, a new member of the cuspidine group from the Prairie Lake silicocarbonatite, Ontario Note: ordering of elements in M1 and M2 could not be determined The Canadian Mineralogist, 2008, 46, 1023-1032
9014631	CIF	Ge O4 Zn2	R -3 :R	8.836; 8.836; 8.836 107.7; 107.7; 107.7	563.199	Hang, C.; Simonov, M. A.; Belov, N. V. Crystal structures of willemite Zn2[SiO4] and its germanium analog Zn2[GeO4] Soviet Physics Crystallography, 1970, 15, 387-390
9014630	CIF	Mn2 O4 Si	P b n m	4.9023; 10.5964; 6.2567 90; 90; 90	325.015	Fujino, K.; Sasaki, S.; Takeuchi, Y.; Sadanaga, R. X-ray determination of electron distributions in forsterite, fayalite and tephroite Acta Crystallographica, Section B, 1981, 37, 513-518
9014627	CIF	Ba O3 Ti	A m m 2	3.9806; 5.671; 5.6904 90; 90; 90	128.455	Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 210 K Journal of Physical Chemistry, 1993, 97, 2368-2377
9014626	CIF	As4 Cu6 Hg3 S12	R 3 :H	13.75; 13.75; 9.36 90; 90; 120	1532.54	Vasil'ev, V. I.; Pervukhina, N. V.; Borisov, S. V.; Magarill, S. A.; Naumov, D. Y.; Kurat'eva, N. V. Aktashite Cu6Hg3As4S12 from the Aktash Deposit, Altai, Russia: Refinement and crystal chemical analysis of the structure Geology of Ore Deposits, 2010, 52, 656-661
9014625	CIF	Mg39 O120 Si28	P 1 m 1	35.02; 9.23; 7.27 90; 90; 90	2349.92	Dodony, I.; Posfai, M.; Buseck, P. R. Revised structure models for antigorite: An HRTEM study Note: n = 14 American Mineralogist, 2002, 87, 1443-1457
9014623	CIF	Cu H4 O5 Se	P 21 21 21	6.666; 9.169; 7.373 90; 90; 90	450.642	Pasero, M.; Perchiazzi, N. Chalcomenite from Baccu Locci, Sardinia, Italy: mineral data and structure refinement Neues Jahrbuch fur Mineralogie, Monatshefte, 1989, 1989, 551-556
9014622	CIF	Ca H8 O15 Si4 V	C c m 21	10.376; 14.062; 8.984 90; 90; 90	1310.83	Ishida, N.; Kimata, M.; Nishida, N.; Hatta, T.; Shimizu, M.; Akasaka, T. Polymorphic relation between cavanite and pentagonite: genetic implications of oxonium ion in cavansite Journal of Mineralogical and Petrological Sciences, 2009, 104, 241-252
9014621	CIF	Al8 Be Fe0.885 Mg1.73 O16 Sn0.063 Zn0.322	P 63 m c	5.6978; 5.6978; 18.373 90; 90; 120	516.565	Yang, Z.; Ding, K.; De Fourestier, J.; Mao, Q.; Li, H. Ferrotaaffeite-2N'2S, a new mineral species, and the crystal structure of Fe2±rich magnesiotaaffeite-2N'2S from the Xianghualing tin-polymetallic ore field, Hunan Province, China The Canadian Mineralogist, 2012, 50, 21-29
9014620	CIF	Al7.239 B3 Ca0.683 F0.638 Fe0.063 H3.362 Li1.632 Mg0.027 Mn0.036 Na0.247 O30.362 Pb0.006 Si6 Ti0.003	R 3 m :H	15.8306; 15.8306; 7.0999 90; 90; 120	1540.91	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L22, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9014618	CIF	C Ca0.997 O3 Sr0.003	P m c n	4.9667; 7.9775; 5.768 90; 90; 90	228.539	Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 415 K American Mineralogist, 2012, 97, 707-712
9014617	CIF	Ba0.5 Cu O10 Si4 Sr0.5	P 4/n c c :2	7.39601; 7.39601; 15.8469 90; 90; 90	866.841	Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 50 K European Journal of Mineralogy, 2007, 19, 189-200
9014616	CIF	Al7.029 B3 F0.14 Fe1.761 H3.38 Mg0.33 Na0.55 O30.86 Si5.862 Ti0.018	R 3 m :H	15.963; 15.963; 7.148 90; 90; 120	1577.41	Foit, F. F. Crystal chemistry of alkali-deficient schorl and tourmaline structural relationships American Mineralogist, 1989, 74, 422-431
9014615	CIF	Cr H2 O2	P n n m	4.8691; 4.3184; 2.9594 90; 90; 90	62.226	Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N. Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run #630 European Journal of Mineralogy, 2012, 24, 839-850
9014611	CIF	C Ca O3	R -3 c :H	4.9775; 4.9775; 17.3105 90; 90; 120	371.418	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 = 500 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236
9014610	CIF	Al6.12 As0.1 B O16.86 Sb1.14 Si1.3 Ta0.3	P n m a	4.6893; 11.881; 20.394 90; 90; 90	1136.22	Zubkova, N. V.; Pushcharovskii, D. Y.; Kabalov, Y. K.; Kazantsev, S. S.; Voloshin, A. V. Crystal structure of holtite II Crystallography Reports, 2006, 51, 16-22
9014605	CIF	Fe	F m -3 m	3.555; 3.555; 3.555 90; 90; 90	44.928	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 = 9.90 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420
9014603	CIF	As0.27 Ca0.05 Dy0.07 Er0.05 Gd0.02 Nb0.68 Nd0.01 O4 Si0.01 Ta0.01 Tb0.01 Th0.01 U0.02 W0.06 Y0.7 Yb0.01	I 1 2/a 1	5.1794; 11.089; 5.1176 90; 91.282; 90	293.853	Guastoni, A.; Camara, F.; Nestola, F. Arsenic-rich fergusonite-beta-(Y) from Mount Cervandone (Western Alps, Italy): Crystal structure and genetic implications American Mineralogist, 2010, 95, 487-494
9014601	CIF	Al7 B3 Ca0.483 F0.327 H3.291 K0.105 Li2 Na0.412 O30.672 Si6	R 3 m :H	15.88; 15.88; 7.118 90; 90; 120	1554.5	Aurisicchio, C.; Demartin, F.; Ottolini, L.; Pezzotta, F. Homogeneous liddicoatite from Madagascar: a possible reference material? First EMPA, SIMS and SREF data Sample: 1 European Journal of Mineralogy, 1999, 11, 237-242
9014600	CIF	Al1.76 Ca Fe1.95 H18 Mg0.29 Mn O26 P4	P 1 2/a 1	14.941; 6.9495; 10.054 90; 111; 90	974.594	Grey, I. E.; Mumme, W. G.; Neville, S. M.; Wilson, N. C.; Birch, W. D. Jahnsite - whiteite solid solutions and associated minerals in the phosphate pegmatite at Hagendorf-Sud, Bavaria, Germany Mineralogical Magazine, 2010, 74, 969-978
9014599	CIF	As Cu3 S4	P m n 21	7.399; 6.428; 6.145 90; 90; 90	292.261	Pfitzner, A.; Bernert, T. The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures Sample: Cu3AsS4 Zeitschrift fur Kristallographie, 2004, 219, 20-26
9014598	CIF	Ca0.58 Fe0.5 Mg0.5 Na0.42 O6 Si2	C 1 2/c 1	9.663; 8.813; 5.2184 90; 106.4; 90	426.318	Mills, S. J.; Groat, L. A. The crystal structure of yellow aegirine-augite from Mount Anakie, Victoria Australian Journal of Mineralogy, 2008, 14, 43-45
9014596	CIF	Al7.272 B3 Ca0.614 F0.633 Fe0.156 H3.367 Li1.482 Mg0.018 Mn0.057 Na0.311 O30.367 Pb0.006 Si6 Ti0.018	R 3 m :H	15.8333; 15.8333; 7.1025 90; 90; 120	1542	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L27, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9014595	CIF	Ca2 O4 Si	P b n m	5.081; 11.224; 6.778 90; 90; 90	386.544	Udagawa, S.; Urabe, K.; Natsume, M.; Yano, T. Refinement of the crystal structure of gamma-Ca2SiO4 Cement and Concrete Research, 1980, 10, 139-144
9014594	CIF	Cr2 O3	R -3 c :H	4.756; 4.756; 13.109 90; 90; 120	256.793	Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 35.4 GPa American Mineralogist, 2012, 97, 1764-1770
9014592	CIF	B Ca H O5 Si	P 1 21/c 1	4.8356; 7.6114; 9.6341 90; 90.158; 90	354.588	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
9014591	CIF	Fe	F m -3 m	3.583; 3.583; 3.583 90; 90; 90	45.998	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 = 8.36 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420
9014588	CIF	Al2 Co0.63 Mg0.37 O4	F d -3 m :2	8.0957; 8.0957; 8.0957 90; 90; 90	530.595	Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl50 American Mineralogist, 2012, 97, 1834-1840
9014587	CIF	Fe S4 Sb2	P n a m	10.9015; 13.3136; 3.69 90; 90; 90	535.56	Periotto, B.; Balic-Zunic T; Nestola, F. The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 7.41 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218
9014586	CIF	K3 Mo4 O22 P4	P 1 21/c 1	9.721; 9.805; 12.329 90; 128.73; 90	916.723	Guesdon, A.; Borel, M.; Leclaire, A.; Grandin, A.; Raveau, B. A series of Mixed-valent Molybdenum Monophosphates, Isotypic with Leucophosphite Represented by CsMo2P2O10 and K1.5Mo2P2O10.H2O _cod_database_code 1001554 Zeitschrift fur Anorganische und Allgemeine Chemie, 1993, 619, 1841-1849
9014585	CIF	Cu0.881 H12.248 O18.124 P2 U2	P 4/n :2	6.9551; 6.9551; 16.6604 90; 90; 90	805.92	Stubbs, J. E.; Post, J. E.; Elbert, D. C.; Heaney, P. J.; Veblen, D. R. Uranyl phosphate sheet reconstruction during dehydration of metatorbernite [Cu(UO2)2(PO4)2*8H2O] Note: This is the 8.3 Angstrom phase while heating at 129 C American Mineralogist, 2010, 95, 1132-1140
9014584	CIF	Al0.06 Ba0.97 Ca0.04 Fe2.7 H3 Mg0.04 Mn1.14 Na0.02 O15 P3 Sr0.03	P 1 21/m 1	9.2425; 12.47; 5.002 90; 100.19; 90	567.407	Elliott, P.; Willis, A. C. The crystal structure of perloffite Mineralogical Magazine, 2011, 75, 317-325
9014583	CIF	Al5.466 B3 Ca0.03 Fe3.534 Na0.97 O31 Si6	R 3 m :H	15.917; 15.917; 7.252 90; 90; 120	1591.15	Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E. Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample bls2h1, heated in air at 700 C for 10 h American Mineralogist, 2012, 97, 1402-1416
9014581	CIF	Ba0.5 Cu O10 Si4 Sr0.5	P 4/n c c :2	7.39447; 7.39447; 15.8534 90; 90; 90	866.835	Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 200 K European Journal of Mineralogy, 2007, 19, 189-200
9014580	CIF	Cu O	C 1 2/c 1	4.6837; 3.4226; 5.1288 90; 99.54; 90	81.08	Asbrink, S.; Norrby, L. J. A refinement of the crystal structure of copper(II) oxide, with a discussion of some exceptional E.s.d.'s Acta Crystallographica, Section B, 1970, 26, 8-15
9014579	CIF	Al6.454 As0.21 B H O17.64 Sb0.36 Si2.43 Ta0.258	P n m a	4.695; 11.906; 20.38 90; 90; 90	1139.21	Kazantsev, S. S.; Pushcharovsky, D. Y.; Pasero, M.; Merlino, S.; Zubkova, N. V.; Kabalov, Y. K.; Voloshin, A. V. Crystal structure of holtite I Crystallography Reports, 2005, 50, 42-47
9014578	CIF	Cl H	F m -3 m	5.482; 5.482; 5.482 90; 90; 90	164.747	Sandor, E.; Farrow, R. F. C. Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 118.5 K Nature, 1967, 213, 171-172
9014576	CIF	Al5.7 B3 Ca0.64 F0.46 H3.32 K0.02 Mg3.24 Na0.34 O30.54 Si6 V0.06	R 3 m :H	15.967; 15.967; 7.213 90; 90; 120	1592.55	Schmetzer, K.; Nuber, B.; Abraham, K. Zur Kristallchemie Magnesium-reicher Turmaline Neues Jahrbuch fur Mineralogie, Abhandlungen, 1979, 136, 93-112
9014572	CIF	Cu Ni Sb2	P -3 m 1	4.051; 4.051; 5.1382 90; 90; 120	73.024	Kabalov, Y. K.; Sokolova, E. V.; Spiridonov, E. M.; Spiridonov, F. M. Crystal structure of a new mineral CuNiSb2 Doklady Akademii Nauk, 1994, 335, 709-711
9014571	CIF	B Ca H O5 Si	P 1 21/c 1	4.8361; 7.6155; 9.6392 90; 90.134; 90	355.004	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
9014570	CIF	Al7.08 B3 Ca0.62 F0.84 Fe0.66 H2.43 Li0.99 Mg0.24 Na0.32 O30.15 Si6 Ti0.03	R 3 m :H	15.894; 15.894; 7.115 90; 90; 120	1556.58	Rozhdestvenskaya, I. V.; Bronzova, Y. M.; Frank-Kamenetskaya O V; Zolotarev, A. A.; Kuznetsova, L. G.; Bannova, I. I. Refinement of the crystal structure of calcium-lithium-aluminum tourmaline from the pegmatite vein in the Sangilen Upland (Tuva Republic) Crystallography Reports, 2008, 53, 223-227
9014569	CIF	C24 H48 Ca12 K7.11 O112 U8	P n n m	17.015; 18.048; 18.394 90; 90; 90	5648.55	Hughes Kubatko, K. A.; Burns, P. C. The crystal structure of a novel uranyl tricarbonate, K2Ca3[(UO2)(CO3)3]2(H2O)6 The Canadian Mineralogist, 2004, 42, 997-1003
9014567	CIF	As2 Fe0.08 H7 Mg0.05 Mn0.05 O12 Zn2.82	P n m a	10.804; 19.003; 5.112 90; 90; 90	1049.54	Neuhold, F.; Kolitsch, U.; Bernhardt, H. J.; Lengauer, C. L. Arsenohopeite, a new zinc arsenate mineral from the Tsumeb mine, Namibia Mineralogical Magazine, 2012, 76, 603-612
9014563	CIF	C0.124 H3.224 Cr0.25 Mg0.75 O2.984	P 63/m m c	3.09689; 3.09689; 15.6193 90; 90; 120	129.731	Mills, S. J.; Whitfield, P. S.; Wilson, S. A.; Woodhouse, J. N.; Dipple, G. M.; Raudsepp, M.; Francis, C. A. The crystal structure of stichtite, re-examination of barbertonite, and the nature of polytypism in MgCr hydrotalcites Note: Sample 84588, 2H1 polytype of stichtite American Mineralogist, 2011, 96, 179-187
9014561	CIF	Cs H4 Ni1.5 O26 Se2 U4	C 1 2/c 1	8.755; 14.228; 17.927 90; 103.739; 90	2169.2	Wylie, E. M.; Burns, P. C. Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 1 The Canadian Mineralogist, 2012, 50, 147-157
9014559	CIF	Cr2 Cu S4	F d -3 m :1	9.82; 9.82; 9.82 90; 90; 90	946.966	Riedel, E.; Horvath, E. Spinelle mit substituierten Nichtmetallteilgittern. IV. Roentgenographische Untersuchung der Systeme CuCr2(S11-xSex)4 und CuCr3(Se1-xTex)4 Zeitschrift fur Anorganische und Allgemeine Chemie, 1973, 399, 219-224
9014558	CIF	Ca1.88 Fe1.91 H2 K0.54 Mg3.19 O24 Si8	C 1 2/m 1	9.71; 17.833; 5.253 90; 105.85; 90	875.018	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: DL5 P = 4.54 GPa American Mineralogist, 2010, 95, 1042-1051
9014557	CIF	F2 Pb	F m -3 m	5.9397; 5.9397; 5.9397 90; 90; 90	209.553	Achary, S. N.; Tyagi, A. K. Synthesis and characterization of mixed fluorides with PbF2 and ScF3 Powder Diffraction, 2005, 20, 254-258
9014552	CIF	Ba0.02 Ca3.78 Ce0.36 F2.98 Gd0.02 La0.12 Mn0.02 Na2.04 Nb0.14 Nd0.18 O15.02 Pr0.04 Si4 Sm0.02 Sr0.24 Ti0.85 Y0.06 Zr0.01	P 1 21/c 1	7.424; 5.7083; 18.941 90; 101.424; 90	786.787	Camara, F.; Sokolova, E.; Hawthorne, F. C. From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample 3471 Mineralogical Magazine, 2011, 75, 2755-2774
9014551	CIF	Lu O6 Ta Ti	P b c n	14.5288; 5.5226; 5.1572 90; 90; 90	413.797	Thorogood, G. J.; Avdeev, M.; Kennedy, B. J. Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide Solid State Sciences, 2010, 12, 1263-1269
9014548	CIF	Al1.458 Fe0.541 Mg1.001 O4	F d -3 m :2	8.1697; 8.1697; 8.1697 90; 90; 90	545.278	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 650 C Annealing time = 21 min European Journal of Mineralogy, 2012, 24, 633-643
9014547	CIF	Fe1.22 H2 K Mg0.78 O12 Si4	C 1 2 1	5.223; 9.047; 10.197 90; 100.43; 90	473.872	Tsipurskij, S. I.; Drits, V. A. Refining the crystallographic structure of celadonite Mineralogiceskij Zhurnal, 1986, 8, 32-40
9014545	CIF	C H K O3	P 1 21/a 1	15.1725; 5.6283; 3.711 90; 104.631; 90	306.626	Thomas, J. O.; Tellgren, R.; Olovsson, I. Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 298 K Acta Crystallographica, Section B, 1974, 30, 1155-1166
9014543	CIF	Al7 Ca6 Cl O16	I -4 3 d	12.0095; 12.0095; 12.0095 90; 90; 90	1732.11	Iwata, T.; Haniuda, M.; Fukuda, K. Crystal structure of Ca12Al14O32Cl2 and luminescence properties of Ca12Al14O32Cl2:Eu2+ Journal of Solid State Chemistry, 2008, 181, 51-55
9014542	CIF	As2 Ca1.928 Fe3 H48.352 Mg Mo8 Na0.072 O61.176	C 1 2/m 1	19.5336; 11.0637; 15.2559 90; 131.528; 90	2468.25	Kampf, A. R.; Mills, S. J.; Rumsey, M. S.; Dini, M.; Birch, W. D.; Spratt, J.; Pluth, J. J.; Steele, I. M.; Jenkins, R. A.; Pinch, W. W. The heteropolymolybdate family: structural relations, nomenclature scheme and new species Mineralogical Magazine, 2012, 76, 1175-1207
9014541	CIF	Ca2 O16 Ti2 Zr5	I 41/a c d :1	15.3; 15.3; 10.2 90; 90; 90	2387.72	Pyatenko, Y. A.; Pudovkina, Z. V. The crystal structure of calcirtite; a new derivative structure of CaF2-CeO2 type Note: ideal structure Soviet Physics Crystallography, 1961, 6, 155-157
9014540	CIF	Fe	F m -3 m	3.527; 3.527; 3.527 90; 90; 90	43.875	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 M620, P = 16.63 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420
9014538	CIF	Ca1.98 Fe2.76 H20 Mn0.14 O32 Si8	C 1 2/m 1	14.319; 17.825; 5.242 90; 103.5; 90	1300.98	Chukanov, N. V.; Britvin, S. N.; Blass, G.; Belakovskiy, D. I.; Van, K. V. Windhoekite, Ca2Fe3+3-x(Si8O20)(OH)4*10H2O, a new palygorskite-group mineral from the Aris phonolite, Namibia Note: the chemical formula for this mineral cannot be obtained from the crystal structure. The structure is missing two oxygens, and the OH positions were not given. European Journal of Mineralogy, 2012, 24, 171-179
9014537	CIF	Mg1.84 O4 Si0.91	F d -3 m :2	8.1115; 8.1115; 8.1115 90; 90; 90	533.708	Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 736 K American Mineralogist, 2012, 97, 573-582
9014535	CIF	Mg O3 Si	P b c a	17.982; 8.633; 5.0926 90; 90; 90	790.568	Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 6.57(5) GPa American Mineralogist, 2012, 97, 1741-1748
9014534	CIF	C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3	P 63	12.58; 12.58; 5.058 90; 90; 120	693.219	Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 0.76 GPa American Mineralogist, 2012, 97, 872-882
9014533	CIF	Al7.194 B3 Ca0.641 F0.696 Fe0.021 H3.303 Li1.605 Mn0.18 Na0.288 O30.303 Pb0.023 Si6	R 3 m :H	15.8418; 15.8418; 7.1044 90; 90; 120	1544.07	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L6, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9014532	CIF	Al1.04 H3.2 O6 W0.96	I -1	8.196; 9.187; 11.316 92.82; 94.08; 90.23	848.844	Grey, I. E.; Madsen, I. C.; Mills, S. J.; Hatert, F.; Peterson, V. K.; Bastow, T. J. A new type of cubic-stacked layer structure in anthoinite, AlWO3(OH)3 American Mineralogist, 2010, 95, 639-645
9014531	CIF	Na Nb0.9 O2.95 Ti0.1	P b m a	5.5428; 15.5632; 5.5094 90; 90; 90	475.261	Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A. A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.1 Chemistry of Materials, 2003, 15, 1872-1878
9014529	CIF	Ca4.52 F3 Mn0.41 Na1.88 O15 Si4 Zr1.19	P -1	10.97; 10.943; 7.365 109.63; 109.65; 83.39	784.247	Bellezza, M.; Merlino, S.; Perchiazzi, N. Distinct domains in "guarinite" from Monte Somma, Italy: Crystal structures and crystal chemistry Note: "Guarinite" Domain IV The Canadian Mineralogist, 2012, 50, 531-548
9014528	CIF	Fe2 Si	P -3 m 1	4.052; 4.052; 5.085 90; 90; 120	72.304	Errandonea, D.; Santamaría-Perez D; Vegas, A.; Nuss, J.; Jansen, M.; Rodríguez-Hernandez P; Munoz, A. Structural stability of Fe5Si3 and Ni2Si studied by high-pressure X-ray diffraction and ab initio total-energy calculations Physical Review B - Condensed Matter, 2008, 77, 094113-1-094113-12
9014526	CIF	Al1.61 Fe0.392 Mg1.001 O4	F d -3 m :2	8.1457; 8.1457; 8.1457 90; 90; 90	540.487	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 550 C Annealing time = 5340 min European Journal of Mineralogy, 2012, 24, 633-643
9014525	CIF	Al1.83 Ca1.3 Ce0.05 Fe1.11 H0.87 La0.03 Mn1.13 Nd0.02 O12.87 Si3 Sr0.19	P 1 21/m 1	8.8673; 5.6747; 10.1594 90; 114.719; 90	464.371	Nagashima, M.; Armbruster, T.; Akasaka, M.; Minakawa, T. Crystal chemistry of Mn2±, Sr-rich and REE-bearing piemontite from the Kamisugai mine in the Sambagawa metamorphic belt, Shikoku, Japan Journal of Mineralogical and Petrological Sciences, 2010, 105, 142-150
9014524	CIF	C Ca O3	R -3 c :H	4.9766; 4.9766; 17.3757 90; 90; 120	372.682	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 = 599 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236
9014523	CIF	Al7.293 B3 Ca0.684 F0.712 Fe0.039 H3.288 Li1.62 Mn0.048 Na0.238 O30.288 Pb0.013 Si6	R 3 m :H	15.8286; 15.8286; 7.1012 90; 90; 120	1540.8	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L24, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9014521	CIF	Fe Nb0.13 O6 Ta1.87	P 42/m n m	4.7562; 4.7562; 9.291 90; 90; 90	210.176	Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim24_q0, untreated Mineralogical Magazine, 2006, 70, 319-328
9014520	CIF	Cu2 Se	F m -3 m	5.694; 5.694; 5.694 90; 90; 90	184.609	Yamamoto, K.; Kashida, S. X-ray study of the average structures of Cu2Se and Cu1.8S in the room temperature and the high temperature phases Note: Sample: Cu2Se (low), T = 300 K Journal of Solid State Chemistry, 1991, 93, 202-211
9014519	CIF	Fe2 H5 O7 S0.5	C 1 2/m 1	16.068; 3.058; 10.929 90; 93.82; 90	535.814	Biagioni, C.; Bonaccorsi, E.; Orlandi, P. Volaschioite, Fe3+4(SO4)O2(OH)6*2H20, a new mineral species from Fornovolasco, Apuan Alps, Tuscany, Italy The Canadian Mineralogist, 2011, 49, 605-614
9014518	CIF	Al2 Mg3 O12 Si3	I a -3 d	11.445; 11.445; 11.445 90; 90; 90	1499.16	Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 173.7 K American Mineralogist, 2011, 96, 1593-1605
9014516	CIF	H6 Mg O6 Si	P 1 21 1	5.148; 5.252; 7.404 90; 89.88; 90	200.184	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 Pnam American Mineralogist, 2012, 97, 1043-1048
9014515	CIF	O6 Pr Ta Ti	P n m a	10.9511; 7.5288; 5.3829 90; 90; 90	443.813	Thorogood, G. J.; Avdeev, M.; Kennedy, B. J. Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide Solid State Sciences, 2010, 12, 1263-1269
9014513	CIF	Fe Nb0.13 O6 Ta1.87	P 42/m n m	4.7504; 4.7504; 9.2549 90; 90; 90	208.849	Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim9_q3, treated at 750 C for 180 min Mineralogical Magazine, 2006, 70, 319-328
9014512	CIF	Al2 Mg3 O12 Si3	I a -3 d	11.4425; 11.4425; 11.4425 90; 90; 90	1498.18	Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 122.3 K American Mineralogist, 2011, 96, 1593-1605
9014511	CIF	Al2 Co0.76 Mg0.25 O4	F d -3 m :2	8.101; 8.101; 8.101 90; 90; 90	531.638	Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl67 American Mineralogist, 2012, 97, 1834-1840
9014510	CIF	Al1.46 Fe0.539 Mg1.001 O4	F d -3 m :2	8.17; 8.17; 8.17 90; 90; 90	545.339	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 650 C Annealing time = 9 min European Journal of Mineralogy, 2012, 24, 633-643
9014509	CIF	Al0.68 H0.68 O2 Si0.32	P b n m	4.72318; 8.9148; 2.77276 90; 90; 90	116.75	Kanzaki, M. Crystal structure of a new high-pressure polymorph of topaz-OH P = 14 GPa, T = 1400 C American Mineralogist, 2010, 95, 1349-1352
9014508	CIF	Al2 Co0.25 Mg0.75 O4	F d -3 m :2	8.0875; 8.0875; 8.0875 90; 90; 90	528.984	Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl14 American Mineralogist, 2012, 97, 1834-1840
9014507	CIF	H47.64 Mg Na4 O51.82 V10	P -1	9.0425; 11.3303; 11.7353 105.222; 97.377; 100.791	1119.46	Colombo, F.; Baggio, R.; Kampf, A. R. The crystal structure of the elusive huemulite The Canadian Mineralogist, 2011, 49, 849-864
9014506	CIF	Ba0.821 Cu O10 Si4 Sr0.179	P 4/n c c :2	7.41932; 7.41932; 16.0402 90; 90; 90	882.954	Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .821 European Journal of Mineralogy, 2010, 22, 411-423
9014505	CIF	O3 Ti1.67	P b c a	9.781; 9.778; 9.815 90; 90; 90	938.693	Ma, C.; Tschauner, O.; Beckett, J. R.; Rossman, G. R.; Liu, W. Panguite, (Ti4+,Sc,Al,Mg,Zr,Ca)1.8O3, a new ultra-refractory titania mineral from the Allende meteorite: Synchrotron micro-diffraction and EBSD American Mineralogist, 2012, 97, 1219-1225
9014504	CIF	As2 Ca H4 O8	P -1	8.558; 7.697; 5.721 92.583; 109.867; 109.983	327.494	Chiari, G.; Ferraris, G. The crystal structure of calcium dihydrogen arsenate, Ca(H2AsO4)2 Atti della Accademia delle Scienze di Torino, Classe di Scienze Fisiche, Matematiche e Naturali, 1971, 105, 725-743
9014503	CIF	C H2 Al Na O5	I m m a	6.759; 5.585; 10.425 90; 90; 90	393.533	Corazza, E.; Sabelli, C.; Vannucci, S. Dawsonite: new mineralogical data and structure refinement Neues Jahrbuch fur Mineralogie, Monatshefte, 1977, 1977, 381-397
9014502	CIF	C3 H2 K2.463 Na1.537 O12 U	P -6 2 c	9.2507; 9.2507; 8.1788 90; 90; 120	606.135	Plasil, J.; Fejfarova, K.; Skala, R.; Skoda, R.; Meisser, N.; Hlousek, J.; Cisarova, I.; Dusek, M.; Veselovsky, F.; Cejka, J.; Sejkora, J.; Ondrus, P. The crystal chemistry of the uranyl carbonate mineral grimselite, (K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic Note: Sample A Mineralogical Magazine, 2012, 76, 443-453
9014501	CIF	Mg2 O4 Si	I m m a	5.7391; 11.5134; 8.335 90; 90; 90	550.748	Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J. High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 1084 K American Mineralogist, 2012, 97, 1582-1590
9014500	CIF	Al2 Ca0.04 H4 O10 Si2 Sr0.96	P 1 21/m 1	5.4194; 13.2737; 5.8575 90; 124.42; 90	347.588	Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU88 American Mineralogist, 2010, 95, 724-735
9014499	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 750 C Annealing time = 60 min European Journal of Mineralogy, 2012, 24, 633-643
9014498	CIF	Sm	R -3 m :R	8.996; 8.996; 8.996 23.22; 23.22; 23.22	99.346	Daane, A. H.; Rundle, R. E.; Smith, H. G.; Spedding, F. H. The crystal structure of samarium Note: sample 99% pure Acta Crystallographica, 1954, 7, 532-535
9014497	CIF	Fe0.18 Li0.76 Mn0.8 O4 P	P b n m	4.767; 10.403; 6.072 90; 90; 90	301.117	Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F. A structural study of the lithiophilite-sicklerite series Sample 4, orange The Canadian Mineralogist, 2012, 50, 843-854
9014496	CIF	Al1.36 Fe0.784 H1.478 K Mg2.216 O12 Si2.64	C 1 2/m 1	5.3388; 9.2464; 10.2365 90; 100.037; 90	497.588	Zema, M.; Ventruti, G.; Lacalamita, M.; Scordari, F. Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions Sample: SA1_5n American Mineralogist, 2010, 95, 1458-1466
9014495	CIF	Ca3 O25 S2 Si	P 63	11.106; 11.106; 10.492 90; 90; 120	1120.74	Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B. The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample G-3231, single crystal Mineralogical Magazine, 2012, 76, 1133-1152
9014494	CIF	Fe5 Si3	P 63/m c m	6.6496; 6.6496; 4.638 90; 90; 120	177.604	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 = 14.4 GPa Solid State Sciences, 2004, 6, 673-678
9014492	CIF	Ba O3 Ti	A m m 2	3.9828; 5.6745; 5.6946 90; 90; 90	128.7	Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 190 K Journal of Physical Chemistry, 1993, 97, 2368-2377
9014489	CIF	C H Gd O4	P 21 21 21	7.0755; 4.8739; 8.4471 90; 90; 90	291.301	Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334
9014487	CIF	Al0.22 Ca2.778 Cr0.07 Mn0.129 O12 Si3 V1.62	I a -3 d	12.0276; 12.0276; 12.0276 90; 90; 90	1739.95	Righter, K.; Sutton, S.; Danielson, L.; Pando, K.; Schmidt, G.; Yang, H.; Berthet, S.; Newville, M.; Choi, Y.; Downs, R. T.; Malavergne, V. The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt pairs and the relation to terrestrial mantle V and Cr content Note: R061138 American Mineralogist, 2011, 96, 1278-1290
9014486	CIF	O2 Si	P 41 21 2	4.682; 4.682; 6.311 90; 90; 90	138.344	Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T. New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 5.4 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first
9014485	CIF	Bi2 Pb3 S6	B b m m	13.353; 20.367; 4.0615 90; 90; 90	1104.57	Olsen, L. A.; Balic Zunic, T.; Makovicky, E. High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 1.95 GPa Note: occupancies not refined Inorganic Chemistry, 2008, 47, 6756-6762
9014483	CIF	Na Nb O3	P b m a	5.5625; 15.5495; 5.5138 90; 90; 90	476.911	Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A. A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.00 Chemistry of Materials, 2003, 15, 1872-1878
9014481	CIF	Al4 B4 Ca1.21 Cs0.07 K0.72 Na0.79 O18 Si2	P 1 21/n 1	4.8507; 16.6156; 20.5445 90; 90.245; 90	1655.82	Callegari, A. M.; Boiocchi, M.; Bellatreccia, F.; Caprilli, E.; Medenbach, O.; Cavallo, A. Capranicaite, (K,_)(Ca,Na)Al4B4Si2O18: a new inosilicate from Capranica, Italy, with a peculiar topology of the periodic single chain [Si2O6] Mineralogical Magazine, 2011, 75, 33-43
9014480	CIF	H12 O10 S Zn	C 1 2/c 1	9.981; 7.25; 24.28 90; 98.45; 90	1737.88	Spiess, M.; Gruehn, R. Zur thermischen Dehydratisierung des ZnSO4*7H2O und zum Hochtemperaturverhalten von wasserfreiem ZnSO4 Zeitschrift fur Anorganische und Allgemeine Chemie, 1979, 456, 222-240
9014478	CIF	Li Nb3 O8	P 1 21/c 1	7.459; 5.034; 15.27 90; 107.33; 90	547.339	Gatehouse, B. M.; Leverett, P. Lithium triniobate(V), LiNb3O8 Note: isostructural with lithiotantite Crystal Structure Communications, 1972, 1, 83-86
9014477	CIF	Al4 Ca2 H10 O21 Si4	C 1 2/c 1	21.5474; 8.75638; 9.30578 90; 91.5524; 90	1755.14	Lazic, B.; Armbruster, T.; Liebich, B. W.; Perfler, L. Hydrogen-bond system and dehydration behavior of the natural zeolite partheite Note: room temperature American Mineralogist, 2012, 97, 1866-1873
9014476	CIF	Fe	F m -3 m	3.595; 3.595; 3.595 90; 90; 90	46.462	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 = 6.81 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420
9014475	CIF	O7 Pb2 V2	P 1 21/a 1	13.3689; 7.1607; 7.1027 90; 105.935; 90	653.819	Shannon, R. D.; Calvo, C. Refinement of the crystal structure of synthetic chervetite, Pb2V2O7 Canadian Journal of Chemistry, 1973, 51, 70-76
9014474	CIF	C Fe3	P b n m	4.514; 5.078; 6.729 90; 90; 90	154.243	Meinhardt, D.; Krisement, O. Strukturuntersuchungen an Karbiden des Eisens, Wolframs und Chroms mit thermischen Neutronen Archiv fur das Eisenhuettenwesen, 1962, 33, 493-499
9014473	CIF	Cl6 H10.02 Mg2 O18.02 Pb14	P m m 2	5.8034; 11.3574; 12.9393 90; 90; 90	852.849	Rumsey, M. S.; Krivovichev, S. V.; Siidra, O. I.; Kirk, C. A.; Stanley, C. J.; Spratt, J. Rickturnerite, Pb7O4[Mg(OH)4](OH)Cl3, a complex new lead oxychloride mineral Mineralogical Magazine, 2012, 76, 59-73
9014472	CIF	Al3.6 Ca1.76 H19.74 O33.87 Si8.4	R -3 m :R	9.401; 9.401; 9.401 94.39; 94.39; 94.39	823.139	Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F. Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: Ca-exchanged Zeolites, 1982, 2, 303-309
9014471	CIF	Mg1.94 O4 Si	F d -3 m :2	8.0756; 8.0756; 8.0756 90; 90; 90	526.653	Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 193 K American Mineralogist, 2012, 97, 573-582
9014467	CIF	Al6.41 B3.1 Ca0.04 F0.74 Fe2.53 H1.35 Mg0.06 Na0.88 O30.26 Si5.83 Ti0.07	R 3 m :H	15.874; 15.874; 7.196 90; 90; 120	1570.34	Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Buergerite 43293 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266
9014466	CIF	Ca O3 Sn	P b n m	5.4952; 5.6486; 7.8561 90; 90; 90	243.855	Zhao, J.; Ross, N. L.; Angel, R. J. Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 1.50 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305
9014465	CIF	Al1.457 Fe0.541 Mg O4	F d -3 m :2	8.1712; 8.1712; 8.1712 90; 90; 90	545.579	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 650 C Annealing time = 1533 min European Journal of Mineralogy, 2012, 24, 633-643
9014464	CIF	Al6 B3 H3 Li1.152 Mn1.848 Na0.754 O31 Si6	R 3 m :H	15.9461; 15.9461; 7.138 90; 90; 120	1571.87	Bosi, F.; Skogby, H.; Agrosì G; Scandale, E. Tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3OH, a new mineral species of the tourmaline supergroup from Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy Note: this dataset represents the split atom model American Mineralogist, 2012, 97, 989-994
9014463	CIF	Mg1.88 O4 Si0.95	F d -3 m :2	8.1279; 8.1279; 8.1279 90; 90; 90	536.951	Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 685 K American Mineralogist, 2012, 97, 573-582
9014462	CIF	Hg I2	P 42/n m c :2	4.358; 4.358; 12.306 90; 90; 90	233.718	Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 30 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835
9014460	CIF	Ca2.354 F O12 P3 Pb2.646	P 63/m	9.6402; 9.6402; 7.0121 90; 90; 120	564.353	Kampf, A. R.; Housley, R. M. Fluorphosphohedyphane, Ca2Pb3(PO4)3F, the first apatite supergroup mineral with essential Pb and F American Mineralogist, 2011, 96, 423-429
9014459	CIF	B24 Ca6.16 Ce1.11 Dy0.042 Er0.015 Eu0.057 Gd0.042 H14.6 Ho0.015 La0.663 Na0.84 Nd0.534 O53 Pr0.144 Sm0.144 Tb0.015 Y0.216	P 6/m	12.1506; 12.1506; 7.3678 90; 90; 120	942.028	Rowland, C. E.; Cahill, C. L.; Post, J. E. The structure of braitschite, a calcium rare earth borate American Mineralogist, 2011, 96, 197-201
9014458	CIF	Al7.251 B3 Ca0.638 F0.668 Fe0.132 H3.332 Li1.566 Mg0.015 Mn0.03 Na0.284 O30.332 Pb0.006 Si6 Ti0.006	R 3 m :H	15.8399; 15.8399; 7.103 90; 90; 120	1543.4	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L21, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9014457	CIF	Al1.61 Fe0.389 Mg0.999 O4	F d -3 m :2	8.1465; 8.1465; 8.1465 90; 90; 90	540.646	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 550 C Annealing time = 360 min European Journal of Mineralogy, 2012, 24, 633-643
9014456	CIF	Al4.8 B3.12 Ca0.62 Fe1.98 H3.6 Mg2.04 Na0.4 O31 Si5.77 Ti0.28	R 3 m :H	16; 16; 7.248 90; 90; 120	1606.9	Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Feruvite 53776 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266
9014454	CIF	Fe	F m -3 m	3.551; 3.551; 3.551 90; 90; 90	44.777	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 = 12.71 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420
9014453	CIF	C4 H46 O23	P m -3 n	11.821; 11.821; 11.821 90; 90; 90	1651.82	Gutt, C.; Asmussen, B.; Press, W.; Johnson, M. R.; Handa, Y. P.; Tse, J. S. The structure of deuterated methane-hydrate Note: T = 2 K Journal of Chemical Physics, 2000, 113, 4713-4721
9014452	CIF	La0.1 Nb2 O6 Sr0.9	P n m a	11.018; 7.672; 5.575 90; 90.25; 90	471.251	Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M. Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd] Materials Research Bulletin, 1994, 29, 743-749
9014451	CIF	H0.066 Na1.934 O7 Si2 Zr	P -1	6.617; 8.813; 5.426 87.26; 85.68; 71.75	299.553	Pekov, I. V.; Zubkova, N. V.; Pushcharovsky, D. Y.; Kolitsch, U.; Tillmanns, E. Refined crystal structure of parakeldyshite and genetic crystal chemistry of zirconium minerals with [Si2O7] diorthogroups Crystallography Reports, 2007, 52, 1066-1071
9014450	CIF	Fe2.38 Mg0.17 O4 Si0.45	I m m a	5.8448; 17.9749; 8.3771 90; 90; 90	880.096	Woodland, A. B.; Angel, R. J.; Koch, M. Structural systematics of spinel and spinelloid phases in the system MFe2O4-M2SiO4 with M = Fe2+ and Mg Sample: 4f8v0095, Spinelloid-II European Journal of Mineralogy, 2012, 24, 657-668
9014449	CIF	Al7.335 B3 Ca0.688 F0.73 Fe0.03 H3.27 Li1.596 Mn0.033 Na0.239 O30.27 Pb0.009 Si6 Ti0.003	R 3 m :H	15.8293; 15.8293; 7.1003 90; 90; 120	1540.74	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L18, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9014448	CIF	Al2 Mg3 O12 Si3	I a -3 d	11.5195; 11.5195; 11.5195 90; 90; 90	1528.62	Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 873.1 K American Mineralogist, 2011, 96, 1593-1605
9014447	CIF	Mg O3 Si	P b c a	17.916; 8.59; 5.0726 90; 90; 90	780.665	Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 8.65(7) GPa American Mineralogist, 2012, 97, 1741-1748
9014443	CIF	Ca2.907 O12 Si3 V1.934	I a -3 d	12.079; 12.079; 12.079 90; 90; 90	1762.35	Righter, K.; Sutton, S.; Danielson, L.; Pando, K.; Schmidt, G.; Yang, H.; Berthet, S.; Newville, M.; Choi, Y.; Downs, R. T.; Malavergne, V. The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt pairs and the relation to terrestrial mantle V and Cr content Note: R090043 American Mineralogist, 2011, 96, 1278-1290
9014442	CIF	O6 Ta Ti Tm	P b c n	14.5706; 5.5339; 5.1832 90; 90; 90	417.933	Thorogood, G. J.; Avdeev, M.; Kennedy, B. J. Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide Solid State Sciences, 2010, 12, 1263-1269
9014441	CIF	Fe1.656 H4 Mg0.537 Mn1.854 O9 Si0.953	P 63	5.5472; 5.5472; 14.296 90; 90; 120	380.972	Wahle, M. W.; Bujnowski, T. J.; Guggenheim, S.; Kogure, T. Guidottiite, the Mn-analogue of cronstedtite: A new serpentine-group mineral from South Africa Clays and Clay Minerals, 2010, 58, 364-376
9014440	CIF	C0.722 H1.998 Al2.67 Ca0.09 Na3.91 O15.165 Si3.33	P 63	12.606; 12.606; 5.118 90; 90; 120	704.345	Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# Kovd5 The Canadian Mineralogist, 2012, 49, 1129-1150
9014439	CIF	As B Ba O5	P 31	7.2666; 7.2666; 7.1063 90; 90; 120	324.965	Park, C. H.; Bluhm, K. Zur Synthese und Kristallstruktur von Bariumboroarsenat Ba(BAsO5) mit einem Beitrag uber Bariumorthoarsenat Ba3(AsO4)2 Zeitschrift fur Naturforschung B, 1996, 51, 722-726
9014438	CIF	B H3 Mg3 O6	P 63/m	8.924; 8.924; 3.116 90; 90; 120	214.905	Rudnev, V. V.; Chukanov, N. V.; Nechelyustov, G. N.; Yamnova, N. A. Hydroxylborite, Mg3(BO3)(OH)3, a new mineral species and isomorphous series fluoborite-hydroxylborite series Geology of Ore Deposits, 2007, 49, 710-719
9014436	CIF	O2 Si	P 41 21 2	4.632; 4.632; 6.209 90; 90; 90	133.217	Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T. New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 7.3 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first
9014434	CIF	Hg I2	P 42/n m c :2	4.359; 4.359; 12.319 90; 90; 90	234.072	Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 60 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835
9014433	CIF	Al3 Na3 O13.8 Si3	P n a 21	16.426; 15.014; 5.2235 90; 90; 90	1288.22	Hansen, S.; Faelth, L. X-ray study of the nepheline hydrate I structure Zeolites, 1982, 2, 162-166
9014432	CIF	Cr2 O3	R -3 c :H	4.8645; 4.8645; 13.355 90; 90; 120	273.685	Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 14.0 GPa American Mineralogist, 2012, 97, 1764-1770
9014430	CIF	Al1.46 Fe0.538 Mg1.001 O4	F d -3 m :2	8.17; 8.17; 8.17 90; 90; 90	545.339	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 650 C Annealing time = 189 min European Journal of Mineralogy, 2012, 24, 633-643
9014427	CIF	As2 Eu Fe2	F m m m	5.5546; 5.4983; 12.059 90; 90; 90	368.292	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 = 10 K Journal of Physics: Condensed Matter, 2008, 20, 452201_1-452201_5
9014425	CIF	Al4 Ca O7	C 1 2/c 1	12.8398; 8.8624; 5.4311 90; 106.83; 90	591.542	Goodwin, D. W.; Lindop, A. J. The crystal structure of CaO.2Al2O3 Acta Crystallographica, Section B, 1970, 26, 1230-1235
9014423	CIF	Pd Sb2	P a -3	6.4584; 6.4584; 6.4584 90; 90; 90	269.386	Furuseth, S.; Selte, K.; Kjekshus, A. On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2 Acta Chemica Scandinavica, 1967, 21, 527-536
9014422	CIF	Al0.112 Ca0.02 F1.56 Fe2.47 H0.16 K0.37 Li0.66 Mg1.43 Mn0.26 Na2.61 O22.44 Si7.932 Ti0.14	C 1 2/m 1	9.8297; 17.9257; 5.2969 90; 103.99; 90	905.652	Camara, F.; Hawthorne, F. C.; Ball, N. A.; Bekenova, G.; Stepanov, A. V.; Kotelnikov, P. E. Fluoroleakeite, NaNa2(Mg2Fe3+2Li)Si8O22F2, a new mineral of the amphibole group from the Verkhnee Espe deposit, Akjailyautas Mountains, Eastern Kazakhstan District, Kazakhstan: description and crystal structure Note: a-cell edge corrected by author Mineralogical Magazine, 2010, 74, 521-528
9014420	CIF	As0.264 Cu3 S4 Sb0.736	I -4 2 m	5.353; 5.353; 10.652 90; 90; 90	305.229	Pfitzner, A.; Bernert, T. The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures Sample: Cu3As0.3Sb0.7S4 Zeitschrift fur Kristallographie, 2004, 219, 20-26
9014418	CIF	Al2 Co0.11 Mg0.89 O4	F d -3 m :2	8.084; 8.084; 8.084 90; 90; 90	528.298	Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl10 American Mineralogist, 2012, 97, 1834-1840
9014417	CIF	Ca1.78 Fe1.72 H2 K0.2 Mg3.5 Na1.06 O24 Si8	C 1 2/m 1	9.675; 17.804; 5.24 90; 105.98; 90	867.731	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 = 4.31 GPa American Mineralogist, 2010, 95, 1042-1051
9014415	CIF	C Ca O3	R -3 c :H	4.9748; 4.9748; 17.27 90; 90; 120	370.147	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 = 420 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236
9014412	CIF	Bi Cu6 Se6	P m c n	4.0341; 27.056; 9.5559 90; 90; 90	1042.99	Paar, W. H.; Cooper, M. A.; Moelo, Y.; Stanley, C. J.; Putz, H.; Topa, D.; Roberts, A. C.; Stirling, J.; Raith, J. G.; Rowe, R. Eldragonite, Cu6BiSe4(Se2), a new mineral species from the El Dragon mine, Potosi, Bolivia, and its crystal structure The Canadian Mineralogist, 2012, 50, 281-294
9014411	CIF	Be O	P 63 m c	2.6983; 2.6983; 4.3776 90; 90; 120	27.602	Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: Crystal no. 3 in mount Journal of Applied Physics, 1986, 59, 3728-3733
9014410	CIF	Ca3.4 O70.76 Si24	I m m a	19.949; 23.445; 12.607 90; 90; 90	5896.35	Arletti, R.; Quartieri, S.; Vezzalini, G. Elastic behavior of zeolite boggsite in silicon oil and aqueous medium: A case of high-pressure-induced over hydration, Sample: P = 3.6 GPa Note: assignment of site chemistry does not match chemical analysis American Mineralogist, 2010, 95, 1247-1256
9014409	CIF	Al1.609 Fe0.388 Mg1.001 O4	F d -3 m :2	8.1482; 8.1482; 8.1482 90; 90; 90	540.985	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 550 C Annealing time = 339,180 min European Journal of Mineralogy, 2012, 24, 633-643
9014408	CIF	Al2 Ca0.971 H4 O10 Si2 Sr0.029	C m c m	5.8417; 8.7904; 13.1345 90; 90; 90	674.468	Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU77 American Mineralogist, 2010, 95, 724-735
9014404	CIF	Fe Si2	P 4/m m m	2.696; 2.696; 5.147 90; 90; 90	37.411	Li, G.; Bai, W.; Shi, N.; Fang, Q.; Xiong, M.; Yang, J.; Ma, Z.; Rong, H. Linzhiite, FeSi2, a redefined and revalidated new mineral species from Luobusha, Tibet, China European Journal of Mineralogy, 2012, 24, 1047-1052
9014401	CIF	S	P 32 2 1	7.0897; 7.0897; 4.30238 90; 90; 120	187.282	Crichton, W. A.; Vaughan, G. B. M.; Mezouar, M. In situ structure solution of helical sulphur at 3 GPa and 400 deg C P = 3 GPa, T = 400 C Zeitschrift fur Kristallographie, 2001, 216, 417-419
9014400	CIF	Al1.884 Be2.859 Cu0.141 Fe0.116 H0.88 Li0.12 O18.44 Si6	P 6/m c c	9.2502; 9.2502; 9.2184 90; 90; 120	683.107	Adamo, I.; Gatta, G. D.; Rotiroti, N.; Diella, V.; Pavese, A. Gemmological investigation of a synthetic blue beryl: a multi-methodological study Note: Sample: M2-1 Mineralogical Magazine, 2008, 72, 799-808
9014399	CIF	Ba2 Cu O7 Si2	P -4 21 m	8.284; 8.284; 5.313 90; 90; 90	364.603	Du, J. M.; Zeng, H. Y.; Song, L. J.; Dong, Z. C.; Ma, H. W.; Guo, G. C.; Huang, J. S. Synthesis and structure of a new polymorph Ba2CuSi2O7 Note: known as beta-Ba2CuSi2O7 Jiegou Huaxue, 2003, 22, 33-36
9014397	CIF	Al0.107 Fe0.893 H10.404 K0.399 N2.601 O12 S3	R 3 c :H	15.2171; 15.2171; 8.9323 90; 90; 120	1791.26	Demartin, F.; Gramaccioli, C. M.; Campostrini, I. Pyracmonite, (NH4)3Fe(SO4)3, a new ammonium iron sulfate from La Fossa crater, Vulcano, Aeolian Islands, Italy The Canadian Mineralogist, 2010, 48, 307-313
9014396	CIF	Fe Nb0.2 O6 Ta1.8	P 42/m n m	4.7515; 4.7515; 9.254 90; 90; 90	208.925	von Heidenstam, O. Neutron and X-ray diffraction studies on tapiolite and some synthetic substances of trirutile structure Note: Crystal A Note: Curran spectrometer Arkiv for Kemi, 1968, 28, 375-387
9014395	CIF	Ru Se2	P a -3	5.9336; 5.9336; 5.9336 90; 90; 90	208.908	Lutz, H. D.; Muller, B.; Schmidt, T.; Stingl, T. Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2 Acta Crystallographica, Section C, 1990, 46, 2003-2005
9014394	CIF	Al6.809 As0.099 B O17.876 Sb0.025 Si2.876	P n m a	4.6871; 11.7901; 20.1825 90; 90; 90	1115.31	Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A. The crystal chemistry of As- and Sb-bearing dumortierite Sample: D31 The Canadian Mineralogist, 2012, 50, 855-872
9014392	CIF	Ca N2 O10	P 1 21/n 1	6.277; 9.157; 14.484 90; 98.6; 90	823.158	Ribar, B.; Divjakovic, V.; Herak, R.; Prelesnik, B. A new crystal structure study of Ca(NO3)2*(H2O) Acta Crystallographica, Section B, 1973, 29, 1546-1548
9014390	CIF	C H30 Ca3 O25 S Si	P 63	11.036; 11.036; 10.3845 90; 90; 120	1095.32	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 = 22.5 K American Mineralogist, 2012, 97, 1060-1069
9014389	CIF	Al6.668 As0.087 B O17.898 Sb0.022 Si2.89	P n m a	4.6901; 11.7874; 20.1872 90; 90; 90	1116.03	Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A. The crystal chemistry of As- and Sb-bearing dumortierite Sample: D27 The Canadian Mineralogist, 2012, 50, 855-872
9014388	CIF	Ba O9 Si3 Ti	P -6 c 2	6.643; 6.643; 9.766 90; 90; 120	373.229	Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 0.0001 GPa American Mineralogist, 2012, 97, 1749-1763
9014386	CIF	Al1.461 Fe0.54 Mg1.001 O4	F d -3 m :2	8.1701; 8.1701; 8.1701 90; 90; 90	545.359	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 550 C Annealing time = 52,620 min European Journal of Mineralogy, 2012, 24, 633-643
9014385	CIF	As4 Ca Cu10 H10 O34 Te4	P -1	8.9925; 10.1291; 8.9971 102.668; 92.49; 70.434	752.989	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
9014384	CIF	Ba Cu2 O7 Si2	P n m a	6.8556; 13.1725; 6.8901 90; 90; 90	622.213	Yang, H.; Downs, R. T.; Evans, S. H.; Pinch, W. W. Scottyite, the natural analog of synthetic BaCu2Si2O7, a new mineral from the Wessels mine, Kalahari Manganese Fields, South Africa American Mineralogist, 2013, 98, 478-484
9014382	CIF	Cl6 K3 Mn Na	R -3 c :H	12.0966; 12.0966; 13.9555 90; 90; 120	1768.49	Kampf, A. R.; Mills, S. J.; Nestola, F.; Ciriotti, M. E.; Kasatkin, A. V. Saltonseaite, K3NaMn2+Cl6, the Mn analogue of rinneite from the Salton Sea, California American Mineralogist, 2012, 98, 231-235
9014381	CIF	Al7.194 B3 Ca0.563 F0.693 Fe0.015 H3.306 Li1.461 Mn0.33 Na0.354 O30.306 Pb0.026 Si6	R 3 m :H	15.8529; 15.8529; 7.1101 90; 90; 120	1547.47	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L2, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9014379	CIF	Al2 Ca0.034 H4 O10 Si2 Sr0.966	P 1 21/m 1	5.4205; 13.2735; 5.8573 90; 124.43; 90	347.6	Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU92 American Mineralogist, 2010, 95, 724-735
9014378	CIF	Al6.24 As0.13 B H0.52 O17.499 Sb0.343 Si2.499 Ta0.248	P n m a	4.695; 11.906; 20.38 90; 90; 90	1139.21	Kazantsev, S. S.; Zubkova, N. V.; Voloshin, A. V. Refinement of composition and structure of holtite I Crystallography Reports, 2006, 51, 412-413
9014377	CIF	Ru S2	P a -3	5.57; 5.57; 5.57 90; 90; 90	172.809	Oftedal, I. Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit Zeitschrift fur Physikalische Chemie, 1928, 135, 291-299
9014376	CIF	Ca0.53 O2 U0.47	F m -3 m	5.3813; 5.3813; 5.3813 90; 90; 90	155.834	Galuskin, E. V.; Armbruster, T.; Galuskina, I. O.; Lazic, B.; Winiarski, A.; Gazeev, V. M.; Dzierzanowski, P.; Zadov, A. E.; Pertzev, N. N.; Wrzalik, R.; Gurbanov, A. G.; Janeczek, J. Vorlanite (Ca(U6+)O4 - A new mineral from the Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia Note: fluorite structure American Mineralogist, 2011, 96, 188-196
9014375	CIF	Ca0.62 Cs0.04 F0.35 Fe3.15 H4.65 K0.76 Mg0.18 Mn2.96 Na0.5 Nb0.3 O30.65 Rb0.18 Si8 Sn0.12 Ti1.58 Zn0.01 Zr0.01	P -1	5.3868; 11.9141; 11.7171 112.978; 94.641; 103.189	661.831	Stepanov, A. V.; Bekenova, G. K.; Levin, V. L.; Sokolova, E.; Hawthorne, F. C.; Dobrovol'skaya, E. A. Tarbagataite, (K,_)2(Ca,Na)(Fe2+,Mn)7Ti2(Si4O12)2O2(OH)4(OH,F), a new astrophyllite-group mineral species from the Verkhnee Espe Deposit, Akjailyautas Mountains, Kazakhstan: Description and crystal structure The Canadian Mineralogist, 2012, 50, 159-168
9014374	CIF	Al F9 H2 O Pb3	P -1	5.6637; 5.8659; 12.7041 98.725; 94.02; 90.683	416.045	Kampf, A. R.; Yang, H.; Downs, R. T.; Pinch, W. W. The crystal structures and Raman spectra of aravaipaite and calcioaravaipaite American Mineralogist, 2011, 96, 402-407
9014372	CIF	Al6 B3 F Fe3 Na O30 Si6	R 3 m :H	15.869; 15.869; 7.188 90; 90; 120	1567.61	Barton, R. Refinement of the crystal structure of buergerite and the absolute orientation of tourmalines Acta Crystallographica, Section B, 1969, 25, 1524-1533
9014371	CIF	Ca2 Fe2 O5	P n m a	5.3246; 14.4819; 5.511 90; 90; 90	424.955	Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 8.167 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504
9014370	CIF	H2 Mg3 O10 S2	I 41/a m d :2	5.254; 5.254; 12.971 90; 90; 90	358.058	Yamnova, N. A.; Pushcharovskii, D. Y.; Apollonov, V. N. Crystalline structure of a new natural Mg-sulfate Mg3[SO4]2(OH)2 Vestnik Moskovskogo Universiteta Geologiya, 1989, 44, 76-78
9014369	CIF	Na11 O14 Si4 Ti4	P 42/m b c	10.6772; 10.6772; 11.885 90; 90; 90	1354.92	Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V. Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 573 K dehydrated sample Chemistry of Materials, 2010, 22, 4222-4231
9014368	CIF	Al8.922 B6.15 Ca0.01 F0.26 Fe1.338 H8.22 K0.01 Li0.42 Mn0.798 Na0.56 O42.74 Si5.568 Ti0.018 Zn0.06	R 3 m :H	15.883; 15.883; 7.1093 90; 90; 120	1553.18	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 MAG European Journal of Mineralogy, 2012, 24, 695-715
9014367	CIF	C Fe O3	R -3 c :H	4.3462; 4.3462; 12.519 90; 90; 120	204.795	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 P27-2, P = 55.0 GPa Physical Review B, 2010, 82, 064110-064118
9014365	CIF	Fe1.001 Nb0.13 O6 Ta1.869	P 42/m n m	4.7571; 4.7571; 9.2189 90; 90; 90	208.624	Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim23_q2, treated at 750 C for 190 min Mineralogical Magazine, 2006, 70, 319-328
9014364	CIF	Ca3 O8 V2	C 1 2/m 1	9.6715; 5.43276; 7.0713 90; 116.949; 90	331.201	Grzechnik, A. Crystal structure of Ca3(VO4)2 synthesized at 11 GPa and 1373 K Solid State Sciences, 2002, 4, 523-524
9014363	CIF	Al2 Mg3 O12 Si3	I a -3 d	11.4848; 11.4848; 11.4848 90; 90; 90	1514.85	Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 572.9 K American Mineralogist, 2011, 96, 1593-1605
9014362	CIF	Ca3 O5 Si	P -1	11.67; 14.24; 13.72 105.5; 94.33; 90	2190.32	Golovastikov, N.; Matveeva, R.; Belov, N. Crystal structure of tricalcium silicate, 3CaO.SiO2 = C3S Kristallografiya, 1975, 20, 721-729
9014359	CIF	Al2 Ca3 O6	P m -3 m	7.624; 7.624; 7.624 90; 90; 90	443.148	Steele, F. A.; Davey, W. P. The crystal structure of tricalcium aluminate Journal of the American Chemical Society, 1929, 51, 2283-2293
9014358	CIF	Al7.371 B1.967 Fe0.605 Mg0.24 O18.484 Si1.82	P -1	7.9696; 8.1559; 11.3607 110.364; 110.881; 84.67	646.409	Grew, E. S.; Armbruster, T.; Lazic, P.; Yates, M. G.; Medenbach, O.; Huijsmans, J. P. P. Werdingite from a pegmatite at Almgjotheii, Rogaland, Norway: The role of iron in a borosilicate with a mullite-type structure European Journal of Mineralogy, 2011, 23, 577-589
9014357	CIF	As0.08 Ca0.15 Ce0.15 Nd0.15 O4 Th0.15 V0.92 Y0.4	I 41/a m d :2	7.2591; 7.2591; 6.4255 90; 90; 90	338.589	Cadoni, M.; Ciriotti, M. E.; Ferraris, G. Wakefieldite-(Y) from Montaldo di Mondovi (Italy): new data and crystal structure Rendiconti Lincei Scienze Fisiche e Naturali, 2011, 22, 307-314
9014356	CIF	As2.874 Ca2.01 Mg1.758 Mn0.242 Na0.99 O12 V0.126	I a -3 d	12.3404; 12.3404; 12.3404 90; 90; 90	1879.26	Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097
9014355	CIF	C Ca O3	P m c n	4.9653; 8.0088; 5.7847 90; 90; 90	230.035	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 = 235 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236
9014354	CIF	Fe0.183 Li0.86 Mn0.8 O4 P	P b n m	4.734; 10.423; 6.094 90; 90; 90	300.693	Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F. A structural study of the lithiophilite-sicklerite series Sample 2, light yellow The Canadian Mineralogist, 2012, 50, 843-854
9014352	CIF	Ca Na2 O8 S2	C 1 2/c 1	10.158; 8.333; 8.551 90; 112.333; 90	669.521	Cocco, G.; Corazza, E.; Sabelli, C. The crystal structure of glauberite, CaNa2(SO4)2 Zeitschrift fur Kristallographie, 1965, 122, 175-184
9014351	CIF	Al0.55 Ca2 Fe1.45 O5	I 2 m b	5.3394; 14.4853; 5.5584 90; 90; 90	429.902	Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 3.21 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504
9014348	CIF	Na Nb O3	P b c m	5.5007; 5.5621; 15.5373 90; 90; 90	475.371	Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G. Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = .66, Na2Nb2O6 Inorganic Materials, 2004, 40, 1324-1330
9014346	CIF	Be O	P 63 m c	2.6983; 2.6983; 4.3776 90; 90; 120	27.602	Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: Crystal no. 1 in cell Journal of Applied Physics, 1986, 59, 3728-3733
9014345	CIF	H10.3 K2.98 Na1.22 Nb2.2 O31.15 Si8 Ti1.8	C 1 m 1	14.692; 14.164; 7.859 90; 117.87; 90	1445.74	Rastsvetaeva, R. K.; Tamazyan, R. A.; Pushcharovskii D Yu; Nadezhina, T. N.; Voloshin, A. V. K-nenadkevichite, a new representative of the nenadkevichite-labuntsovite series Crystallography Reports, 1994, 39, 908-914
9014344	CIF	C Ca O3	R -3 c :H	4.9761; 4.9761; 17.4163 90; 90; 120	373.478	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 = 644 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236
9014342	CIF	O4 Se Sr	P 1 21/n 1	7.101; 7.34; 6.874 90; 103.48; 90	348.412	Effenberger, H.; Pertlik, F. Four monazite type structures: comparison of SrCrO4, SrSeO4, PbCrO4 (crocoite), and PbSeO4 Zeitschrift für Kristallographie, 1986, 176, 75-83
9014341	CIF	Ca H7 O15 Si4 V	P c m n	9.794; 13.67; 9.643 90; 90; 90	1291.04	Ishida, N.; Kimata, M.; Nishida, N.; Hatta, T.; Shimizu, M.; Akasaka, T. Polymorphic relation between cavanite and pentagonite: genetic implications of oxonium ion in cavansite Journal of Mineralogical and Petrological Sciences, 2009, 104, 241-252
9014340	CIF	C3 K4 O11 U	C 1 2/c 1	10.238; 9.193; 12.211 90; 95.108; 90	1144.71	Skala, R.; Ondrus, P.; Veselovsky, F.; Cisarova, I.; Hlousek, J. Agricolaite, a new mineral of uranium from Jachymov, Czech Republic Mineralogy and Petrology, 2011, 103, 169-175
9014339	CIF	Al2 Cu0.69 Mg0.31 O4	F d -3 m :2	8.0857; 8.0857; 8.0857 90; 90; 90	528.631	Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl90dw American Mineralogist, 2012, 97, 1821-1827
9014338	CIF	Ba0.5 Cu O10 Si4 Sr0.5	P 4/n c c :2	7.39425; 7.39425; 15.8621 90; 90; 90	867.259	Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 300 K European Journal of Mineralogy, 2007, 19, 189-200
9014336	CIF	Al0.761 Fe3.239 H36 O42 S6	P -3 1 c	10.937; 10.937; 17.0813 90; 90; 120	1769.49	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
9014334	CIF	Al1.61 Fe0.39 Mg O4	F d -3 m :2	8.1472; 8.1472; 8.1472 90; 90; 90	540.786	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 750 C Annealing time = 9 min European Journal of Mineralogy, 2012, 24, 633-643
9014333	CIF	Al3 Bi0.49 Ca0.23 H6 O14 P1.8 Si0.2 Sr0.28	R -3 m :H	7.0059; 7.0059; 16.3431 90; 90; 120	694.693	Mills, S. J.; Kampf, A. R.; Raudsepp, M.; Birch, W. D. The crystal structure of waylandite from Wheal Remfry, Cornwall, United Kingdom Mineralogy and Petrology, 2010, 100, 249-253
9014331	CIF	Ca2.5 O9 Si3	I 1 2/m 1	5.593; 3.645; 22.45599 90; 96.97; 90	454.415	Hoffmann, C.; Armbruster, T. Clinotobermorite, Ca5(Si3O8(OH))2*4(H2O) - Ca5(Si6O17)*5(H2O), a natural C-S-H(I) type cement mineral: determination of the substructure _cod_database_code 1000046 Zeitschrift fur Kristallographie, 1997, 212, 863-873
9014330	CIF	Hg I2	P 42/n m c :2	4.365; 4.365; 12.389 90; 90; 90	236.05	Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 200 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835
9014327	CIF	Ge O2	P 32 2 1	4.831; 4.831; 5.568 90; 90; 120	112.539	Yamanaka, T.; Ogata, K. Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 4.58 GPa T = 293 K Note: quartz structure Journal of Applied Crystallography, 1991, 24, 111-118
9014326	CIF	Cu1.48 Fe0.54 K0.737 S2	I 4/m m m	3.846; 3.846; 13.308 90; 90; 90	196.848	Pekov, I. V.; Zubkova, N. V.; Lisitsyn, D. V.; Pushcharovsky, D. Y. Crystal chemistry of murunskite Doklady Earth Sciences, 2009, 424, 139-141
9014324	CIF	Al0.875 Cr0.125 Nb O4	C 1 2/m 1	12.1724; 3.755; 6.4957 90; 107.67; 90	282.894	Ardit, M.; Dondi, M.; Cruciani, G. Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N12 American Mineralogist, 2012, 97, 910-917
9014323	CIF	Fe2 K Li Na2 O24 Si8 Ti2	C 1 2/c 1	16.46; 12.5; 10.01 90; 115.43; 90	1860.01	Cannillo, E.; Mazzi, F.; Rossi, G. The crystal structure of neptunite Acta Crystallographica, 1966, 21, 200-208
9014322	CIF	C6 H34.56 Ca4 F2 Mg O39.28 U2	P -1	13.569; 13.419; 11.622 115.82; 107.61; 92.84	1774.63	Mereiter, K. The crystal structure of albrechtschraufite, MgCa4F2[UO2(CO3)3]2*17-18H2O Mineralogy and Petrology, 2013, pre-print
9014320	CIF	Mn2 O4 Si	P n m a	10.60016; 6.25753; 4.90338 90; 90; 90	325.245	Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1 Journal of Applied Crystallography, 1999, 32, 51-59
9014319	CIF	Ca2 Fe2 O5	P n m a	5.3422; 14.5385; 5.5277 90; 90; 90	429.323	Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 6.326 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504
9014318	CIF	Ca0.82 F1.25 Mn0.79 Na1.18 O7.75 Si2 Ti0.477 Zr0.733	P 1 21/a 1	10.8475; 9.9364; 7.1488 90; 108.392; 90	731.175	Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N. Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea The Canadian Mineralogist, 2012, 50, 593-609
9014317	CIF	Al7.296 B3 Ca0.682 F0.669 Fe0.045 H3.331 Li1.626 Mn0.027 Na0.248 O30.331 Pb0.009 Si6 Ti0.003	R 3 m :H	15.8343; 15.8343; 7.1012 90; 90; 120	1541.91	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L19, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9014315	CIF	Ni Ti	P -3	7.341; 7.341; 5.26996 90; 90; 120	245.951	Sitepu, H. Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Aged Powder Diffraction, 2009, 24, 315-326
9014312	CIF	C H2.5 Cl1.5 O14.5 Pb6 Te2	C 1 2/c 1	21.305; 11.059; 7.564 90; 101.112; 90	1748.76	Kampf, A. R.; Housley, R. M.; Marty, J. Lead-tellurium oxysalts from Otto Mountain near Baker, California: III. Thorneite, Pb6(Te6+2O10)(CO3)Cl2(H2O), the first mineral with edge-sharing octahedral tellurate dimers American Mineralogist, 2010, 95, 1548-1553
9014309	CIF	Fe1.001 Nb0.13 O6 Ta1.869	P 42/m n m	4.7531; 4.7531; 9.2873 90; 90; 90	209.818	Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim9_q0, untreated Mineralogical Magazine, 2006, 70, 319-328
9014308	CIF	Al6 Ca8.5 Na O18	P b c a	10.875; 10.859; 15.105 90; 90; 90	1783.77	Nishi, F.; Takeuchi, Y. The Al6O18 rings of tetrahedra in the structure of Ca8.5NaAl6O18 Acta Crystallographica, Section B, 1975, 31, 1169-1173
9014306	CIF	Au Sb2	P a -3	6.6583; 6.6583; 6.6583 90; 90; 90	295.182	Furuseth, S.; Selte, K.; Kjekshus, A. Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2 Acta Chemica Scandinavica, 1965, 19, 735-741
9014305	CIF	Ag As0.929 Hg S3 Sb0.071	A 1 a 1	7.756; 11.334; 6.665 90; 115.233; 90	529.992	Pervukhina, N. V.; Borisov, S. V.; Magarill, S. A.; Vasil'ev, V. I.; Kuratieva, N. V. Redetermination and crystallographic analysis of the structure of Sb-containing laffittite AgHg(As,Sb)S3 from Chauvai (Kyrgyzstan) Journal of Structural Chemistry, 2010, 51, 683-688
9014304	CIF	Cu3 H6 O11 V2	C 1 2/m 1	10.657; 5.887; 7.228 90; 95.035; 90	451.7	Yoshida, H.; Yamaura, J.; Isobe, M.; Nilsen, G. J.; Hiroi, Z. Orbital Switching in a Frustrated Magnet Nature Communications, 2012, 3, 860-865
9014301	CIF	H0.5 K1.5 Mg2 O7 Si2	P 63/m c m	5.0646; 5.0646; 13.2379 90; 90; 120	294.063	Welch, M. D.; Konzett, J.; Bindi, L.; Kohn, S. C.; Frost, D. J. New structural features of the high-pressure synthetic sheet-disilicate Phase-X, K(2-x)Mg2Si2O7Hx American Mineralogist, 2012, 97, 1849-1857
9014298	CIF	Ca0.498 Eu0.299 F3 Na0.558 Y0.198	P 63/m	6.0403; 6.0403; 3.5899 90; 90; 120	113.431	Frank-Kamenetskaya, O. V.; Fundamenskii, V. S.; Tsytsenko, A. K.; Frank-Kamenetskii, V. A. Crystal structure of gagarinite from precision X-ray data: Structural changes in the NaCaTRF6-Na1.5TR1.5F6 series Crystallography Reports, 1994, 39, 923-928
9014297	CIF	Mg2 O4 Si	P n m a	10.20141; 5.98348; 4.75534 90; 90; 90	290.266	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
9014294	CIF	Ca4 F3 Na2 O15 Si4 Y Zr	P -1	11.012; 10.342; 7.359 89.92; 109.21; 90.06	791.421	Merlino, S.; Perchiazzi, N. The crystal structure of hiortdahlite II Mineralogy and Petrology, 2010, 37, 25-35
9014293	CIF	H6 Na O9 P U	P 4/n c c :2	6.9935; 6.9935; 17.5101 90; 90; 90	856.402	Mills, S. J.; Kampf, A. R.; Birch, W. D. The crystal structure of metanatroautunite, Na[(UO2)(PO4)](H2O)3, from the Lake Boga Granite, Victoria, Australia Note: z-coordinate of U changed from .40959 to match reported bond lengths American Mineralogist, 2012, 97, 735-738
9014292	CIF	Fe0.195 Li0.748 Mn0.8 O4 P	P b n m	4.7651; 10.3379; 6.0595 90; 90; 90	298.498	Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F. A structural study of the lithiophilite-sicklerite series Sample 5, deep orange The Canadian Mineralogist, 2012, 50, 843-854
9014291	CIF	Al1.61 Fe0.388 Mg O4	F d -3 m :2	8.148; 8.148; 8.148 90; 90; 90	540.945	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 550 C Annealing time = 97,260 min European Journal of Mineralogy, 2012, 24, 633-643
9014290	CIF	As H10 N O9 U	P 4/n c c :2	7.189; 7.189; 18.191 90; 90; 90	940.142	Ross, M.; Evans, H. T. Studies of the torbernite minerals (I): The crystal structure of abernathyite and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O Sample : Abernathyite - NH4 American Mineralogist, 1964, 49, 1578-1602
9014287	CIF	Fe	F m -3 m	3.544; 3.544; 3.544 90; 90; 90	44.512	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 = 11.48 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420
9014285	CIF	Fe	F m -3 m	3.514; 3.514; 3.514 90; 90; 90	43.392	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 = 18.69 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420
9014284	CIF	Br2 Fe	P -3 m 1	3.772; 3.772; 6.223 90; 90; 120	76.679	Wilkinson, M. K.; Cable, J. W.; Wollan, E. O.; Koehler, W. C. Neutron diffraction investigations of the magnetic ordering in FeBr2, CoBr2, FeCl2, and CoCl2 Physical Review, 1959, 113, 497-507
9014283	CIF	Al2.36 Ca2 Cr0.04 Fe0.1 H3 Mg0.47 Mn0.01 O14 Si3 Ti0.02	C 1 2/m 1	19.1129; 5.8963; 8.818 90; 97.449; 90	985.361	Hamada, M.; Akasaka, M.; Seto, S.; Makino, K. Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan Sample: ocp1211 American Mineralogist, 2010, 95, 1294-1304
9014282	CIF	Mo O3	P b n m	3.9628; 13.855; 3.6964 90; 90; 90	202.949	Kihlborg, L. Least squares refinement of the crystal structure of molybdenum trioxide Arkiv for Kemi, 1963, 21, 357-364
9014280	CIF	Fe5 Si3	P 63/m c m	6.7472; 6.7472; 4.716 90; 90; 120	185.931	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 = 1.8 GPa Solid State Sciences, 2004, 6, 673-678
9014279	CIF	Fe0.09 Mn0.88 Nb0.28 O6 Ta1.72	P b c n	14.3196; 5.7413; 5.0624 90; 90; 90	416.196	dos Santos, C. A.; Zawislak, L. I.; Kinast, E. J.; Antonietti, V.; da Cunha, J. B. M. Crystal chemistry and structure of the orthorhombic (Fe,Mn)(Ta,Nb)2O6 family of compounds Note: Sample Mn0.88Fe0.09Ta1.72Nb0.28O6 Brazilian Journal of Physics, 2001, 31, 616-631
9014278	CIF	H6 Mg3.592 O19 Si6	P n c n	13.2608; 27.0559; 5.2671 90; 90; 90	1889.74	Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G Variability in sepiolite: Diffraction studies Note: Sample BAT225 Note: T = 225 C American Mineralogist, 2011, 96, 1443-1454
9014277	CIF	Cu2.937 H26 O34 S2 U4	P -1	8.6744; 8.8692; 10.009 72.105; 70.544; 76.035	682.606	Plasil, J.; Fejfarova, K.; Wallwork, K. S.; Dusek, M.; Skoda, R.; Sejkora, J.; Cejka, J.; Veselovsky, F.; Hlousek, J.; Meisser, N.; Brugger, J. Crystal structure of pseudojohannite, with a revised formula, Cu3(OH)2[(UO2)4O4(SO4)2](H2O)12 American Mineralogist, 2012, 97, 1796-1803
9014276	CIF	Ca3.44 Ce0.5 F2.96 Fe0.02 Gd0.04 La0.16 Mn0.02 Na2.3 Nb0.34 Nd0.24 O15.04 Pr0.06 Si4 Sm0.04 Sr0.02 Ti0.6 Y0.08 Zr0.06	P 1 21/c 1	7.4414; 5.6628; 18.8315 90; 101.383; 90	777.934	Camara, F.; Sokolova, E.; Hawthorne, F. C. From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample 2909 Mineralogical Magazine, 2011, 75, 2755-2774
9014275	CIF	Ca3 O9 Si2 Ti0.14 Zr0.86	P 1 21/a 1	10.432; 10.163; 7.356 90; 90.96; 90	779.777	Biagioni, C.; Bonaccorsi, E.; Perchiazzi, N.; Merlino, S. Single crystal refinement of the structure of baghdadite from Fuka (Okayama Prefecture, Japan) Periodico di Mineralogia, 2010, 79, 1-9
9014273	CIF	Ba O3 Ti	P 4 m m	3.986; 3.986; 4.026 90; 90; 90	63.966	Shirane, G.; Danner, H.; Pepinsky, R. Neutron diffraction study of orthorhombic BaTiO3 Note: tetragonal structure Physical Review, 1957, 105, 856-860
9014271	CIF	Al2 Ca0.07 F2 Fe0.04 H10 Mg0.01 Mn0.87 O13 P2 Zn0.01	P -1	9.887; 9.796; 6.054 92.7; 99.83; 97.1	571.913	Birch, W. D.; Grey, I. E.; Mills, S. J.; Pring, A.; Bougerol, C.; Ribabldi-Tunnicliffe A; Wilson, N. C.; Keck, E. Nordgauite, MnAl2(PO4)2(F,OH)2*5H2O, a new mineral from the Hagendorf-Sud pegmatite, Bavaria, Germany: description and crystal structure Mineralogical Magazine, 2011, 75, 269-278
9014270	CIF	Fe9.966 Na1.608 O17.97 Zn0.99	R -3 m :H	5.9401; 5.9401; 35.731 90; 90; 120	1091.85	Nicolopoulos, S.; Vincent, H.; Anne, M.; Joubert, J. Variation in crystal structure, ionic conductivity and magnetic properties with the water uptake of a new hydrated sodium beta ferrite _cod_database_code 1008479 Journal of Solid State Chemistry, 1990, 87, 298-307
9014269	CIF	Cr2 O3	R -3 c :H	4.9233; 4.9233; 13.4953 90; 90; 120	283.286	Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 40.6 kbar Journal of Applied Physics, 1980, 51, 5362-5367
9014267	CIF	Be O	P 63 m c	2.6776; 2.6776; 4.3454 90; 90; 120	26.981	Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: P = 5.0 GPa Journal of Applied Physics, 1986, 59, 3728-3733
9014266	CIF	Al2 Ca0.375 H4 O10 Si2 Sr0.625	P 1 21/m 1	5.3849; 13.2377; 5.8489 90; 124.35; 90	344.221	Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU47 American Mineralogist, 2010, 95, 724-735
9014265	CIF	As Cu S	P n m a	11.356; 3.754; 5.453 90; 90; 90	232.464	Marumo, F.; Nowacki, W. The crystal structure of lautite and of sinnerite, a new mineral from the Lengenbach Quarry Schweizerische Mineralogische und Petrographische Mitteilungen, 1964, 44, 439-454
9014264	CIF	Ge O2	P 32 2 1	4.8546; 4.8546; 5.5943 90; 90; 120	114.178	Yamanaka, T.; Ogata, K. Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 3.55 GPa T = 293 K Note: quartz structure Journal of Applied Crystallography, 1991, 24, 111-118
9014261	CIF	Cr2 O3	R -3 c :H	4.737; 4.737; 13.071 90; 90; 120	254.007	Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 39.7 GPa American Mineralogist, 2012, 97, 1764-1770
9014258	CIF	Al3 H13 O16 P2	P -1	7.386; 7.716; 11.345 99.773; 91.141; 115.58	571.551	Kampf, A. R.; Mills, S. J.; Rossman, G. R.; Steele, I. M.; Pluth, J. J.; Favreau, G. Afmite, Al3(OH)4(H2O)3(PO4)(PO3OH)*H2O,a new mineral from Fumade, Tarn, France: description and crystal structure T = 298 K European Journal of Mineralogy, 2011, 23, 269-277
9014256	CIF	H8 O8 S Zn	P 1 21/n 1	5.9144; 13.5665; 7.8924 90; 90.688; 90	633.222	Anderson, J. L.; Peterson, R. C.; Swainson, I. The atomic structure of deuterated boyleite ZnSO4*4D2O, ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O American Mineralogist, 2012, 97, 1905-1914
9014255	CIF	Al H24 K1.3 O20 S2	P a -3	12.157; 12.157; 12.157 90; 90; 90	1796.71	Larson, A. C.; Cromer, D. T. Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O Acta Crystallographica, 1967, 22, 793-800
9014254	CIF	Al1.609 Fe0.389 Mg1.002 O4	F d -3 m :2	8.1469; 8.1469; 8.1469 90; 90; 90	540.726	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 750 C Annealing time = 1 min European Journal of Mineralogy, 2012, 24, 633-643
9014252	CIF	As2 O3	P 1 21/n 1	4.546; 13.0012; 5.342 90; 94.329; 90	314.83	Origlieri, M. J.; Downs, R. T.; Carducci, M. D.; Rosso, K. M.; Gibbs, G. V. Crystal structure and bonding in the new mineral AsSbO3 General Meeting of the International Mineralogical Association, 2006, 19, 142-142
9014250	CIF	Pb10.159 S22 Sb7.841	P 1 21/a 1	21.554; 23.454; 8.079 90; 100.76; 90	4012.35	Kaden, R.; Wagner, G.; Bente, K. Crystal chemistry and electrical conductivity of boulangerite, dadsonite and iodine-substituted pillaite grown by chemical vapor transport The Canadian Mineralogist, 2012, 50, 219-233
9014246	CIF	Al Ca2 F7 H2 O	C -1	9.4227; 6.967; 9.2671 90.974; 104.802; 90.026	588.085	Kampf, A. R.; Colombo, F.; Gonzalez del Tanago, J. Carlhintzeite, Ca2AlF7*H2O, from the Gigante granitic pegmatite, Cordoba province, Argentina: description and crystal structure Mineralogical Magazine, 2010, 74, 623-632
9014245	CIF	Al5.636 As0.067 Bi0.06 Ca9.156 Cl0.064 Fe0.223 Mn0.864 O39 Si9	P 4/n n c :2	15.5852; 15.5852; 11.7782 90; 90; 90	2860.91	Groat, L. A.; Evans, R. J. Crystal chemistry of Bi- and Mn-bearing vesuvianite from Langban, Sweden Note: sample vesuvianite 2 American Mineralogist, 2012, 97, 1627-1634
9014243	CIF	Fe4 O5	C m c m	2.87366; 9.694; 12.4116 90; 90; 90	345.753	Woodland, A. B.; Frost, D. J.; Trots, D. M.; Klimm, K.; Mezouar, M. In situ observation of the breakdown of magnetite (Fe3O4) to Fe4O5 and hematite at high pressures and temperatures American Mineralogist, 2012, 97, 1808-1811
9014242	CIF	Ca3.64 O67.52 Si24	I m m a	20.326; 23.883; 12.836 90; 90; 90	6231.18	Arletti, R.; Quartieri, S.; Vezzalini, G. Elastic behavior of zeolite boggsite in silicon oil and aqueous medium: A case of high-pressure-induced over hydration, Sample: P = 0.0 GPa on release of pressure Note: assignment of site chemistry does not match chemical analysis American Mineralogist, 2010, 95, 1247-1256
9014240	CIF	Ca4 H2 O11 Si3	A m a 2	20.5805; 10.324; 9.1053 90; 90; 90	1934.6	Armbruster, T.; Lazic, B.; Galuskina, I. O.; Galuskin, E. V.; Gnos, E.; Marzec, K. M.; Gazeev, V. M. Trabzonite, Ca4[Si3O9(OH)]OH: crystal structure, revised formula, new occurrence and relation to killalaite Mineralogical Magazine, 2012, 76, 455-472
9014237	CIF	C Fe O3	R -3 c :H	4.579; 4.579; 14.28 90; 90; 120	259.299	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 P8, P = 19.19 GPa Physical Review B, 2010, 82, 064110-064118
9014235	CIF	Fe4 O5	C m c m	2.843; 9.7; 12.29 90; 90; 90	338.923	Lavina, B.; Dera, P.; Kim, E.; Meng, Y.; Downs, R. T.; Weck, P. F.; Sutton, S. R.; Zhao, Y. Discovery of the recoverable high-pressure iron oxide Fe4O5 Note: P = 10 GPa Proceedings of the National Academy of Sciences, 2011, 108, 17281-17284
9014233	CIF	H6 Mg O6 Si	P 1 21 1	5.1131; 5.1898; 7.3303 90; 90.03; 90	194.517	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 American Mineralogist, 2012, 97, 1043-1048
9014231	CIF	Fe	F m -3 m	3.539; 3.539; 3.539 90; 90; 90	44.324	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 = 14.45 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420
9014230	CIF	Ba O3 Ti	R 3 m :R	4.0036; 4.0036; 4.0036 89.84; 89.84; 89.84	64.172	Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 20 K Journal of Physical Chemistry, 1993, 97, 2368-2377
9014229	CIF	Al1.36 Fe0.766 H1.597 K Mg2.234 O12 Si2.64	C 1 2/m 1	5.3435; 9.253; 10.2458 90; 100.006; 90	498.882	Zema, M.; Ventruti, G.; Lacalamita, M.; Scordari, F. Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions Sample: SA1_15n American Mineralogist, 2010, 95, 1458-1466
9014228	CIF	B Ca H O5 Si	P 1 21/c 1	4.8325; 7.6041; 9.63 90; 90.184; 90	353.87	Rinaldi, R.; Gatta, G. D.; Angel, R. J. Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study Note: T = 220 K American Mineralogist, 2010, 95, 1413-1421
9014227	CIF	B11 Ca0.087 H7 O22 Sr1.913	P -1	6.6378; 6.7387; 20.982 87.86; 82.696; 60.476	809.684	Grice, J. D.; Pring, A. Veatchite: structural relationships of the three polytypes Note: low-T, low-P polytype veatchite-1A American Mineralogist, 2012, 97, 489-495
9014226	CIF	Al1.461 Fe0.538 Mg1.001 O4	F d -3 m :2	8.171; 8.171; 8.171 90; 90; 90	545.539	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 650 C Annealing time = 3069 min European Journal of Mineralogy, 2012, 24, 633-643
9014225	CIF	Fe Nb0.2 O6 Ta1.8	P 42/m n m	4.7515; 4.7515; 9.254 90; 90; 90	208.925	von Heidenstam, O. Neutron and X-ray diffraction studies on tapiolite and some synthetic substances of trirutile structure Note: Crystal A and B combined Arkiv for Kemi, 1968, 28, 375-387
9014224	CIF	B Ce O5 Si	P 31	6.85; 6.85; 6.7 90; 90; 120	272.262	Voronkov, A. A.; Pyatenko, Y. A. X-ray diffraction study of the atomic structure of stillwellite CeBO[SiO4] Soviet Physics Crystallography, 1967, 12, 214-220
9014223	CIF	O4 Pb Se	P 1 21/n 1	7.154; 7.407; 6.954 90; 103.14; 90	358.842	Effenberger, H.; Pertlik, F. Four monazite type structures: comparison of SrCrO4, SrSeO4, PbCrO4 (crocoite), and PbSeO4 Zeitschrift für Kristallographie, 1986, 176, 75-83
9014222	CIF	Co F6 Np O3	C 1 2 1	12.119; 6.908; 7.928 90; 92.84; 90	662.902	Abazli, H.; Cousson, A.; Jove, J.; Pages, M.; Gasperin, M. Les composes Co Np F6 (H2 O)3 et Co U F6 (H2 O)3. Etude structurale, mesur des susceptibilites magnetiques et resonance Moessbauer (237 Np) _cod_database_code 1001329 Journal of the Less-Common Metals, 1984, 96, 23-33
9014221	CIF	Al7.203 B3 Ca0.63 F0.691 Fe0.123 H3.309 Li1.524 Mg0.069 Mn0.069 Na0.338 O30.309 Pb0.007 Si6 Ti0.012	R 3 m :H	15.8404; 15.8404; 7.1039 90; 90; 120	1543.69	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L28, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9014220	CIF	B11 Ca0.62 H7 O22 Sr1.38	C 1 c 1	6.607; 11.7125; 20.6848 90; 91.998; 90	1599.71	Grice, J. D.; Pring, A. Veatchite: structural relationships of the three polytypes Note: moderate-T, high-P polytype veatchite-2M American Mineralogist, 2012, 97, 489-495
9014219	CIF	As3 Ba0.5 Fe4 H16.32 O22.16	P -4 2 m	7.947; 7.947; 8.049 90; 90; 90	508.333	Hager, S. L.; Leverett, P.; Williams, P. A.; Mills, S. J.; Hibbs, D. E.; Raudsepp, M.; Kampf, A. R.; Birch, W. D. The single-crystal X-ray structures of bariopharmacosiderite-C, bariopharmacosiderite-Q and natropharmacosiderite Note: sample Bariopharmacosiderite-Q The Canadian Mineralogist, 2010, 48, 1477-1485
9014218	CIF	As2 Pd	P a -3	5.9855; 5.9855; 5.9855 90; 90; 90	214.438	Furuseth, S.; Selte, K.; Kjekshus, A. Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2 Acta Chemica Scandinavica, 1965, 19, 735-741
9014217	CIF	Al1.37 Ba0.05 F0.16 Fe0.776 H1.34 K0.85 Mg2.224 Na0.07 O11.84 Si2.63	C 1 2/m 1	5.3379; 9.2414; 10.2311 90; 100.023; 90	496.994	Zema, M.; Ventruti, G.; Lacalamita, M.; Scordari, F. Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions Sample: SA1_9 American Mineralogist, 2010, 95, 1458-1466
9014216	CIF	C Ca O3	R -3 c :H	4.9759; 4.9759; 17.4316 90; 90; 120	373.776	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 = 662 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236
9014215	CIF	Al8.697 B3.618 Be0.036 Ca0.29 Fe0.084 H3.41 K0.002 Li0.366 Mg0.006 Mn0.009 Na0.408 O31 Si4.992 Ti0.006	R 3 m :H	15.7537; 15.7537; 7.0707 90; 90; 120	1519.7	Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F. Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T1 American Mineralogist, 2004, 89, 447-454
9014212	CIF	H3 K0.62 Na0.38 O10 Si2.5 U	C m m m	7.092; 17.888; 7.113 90; 90; 90	902.367	Baturin, S. V. Crystal-structure of weeksite Doklady Akademii Nauk SSSR, 1985, 282, 1132-1136
9014211	CIF	Cd Cu H3 N O6	P 1 21/m 1	5.846; 6.613; 6.697 90; 99.44; 90	255.397	Effenberger, H. CdCu(OH)3(NO3), a new layer compound Zeitschrift fur Kristallographie, 2002, 19, 85-85
9014210	CIF	Al2.32 As3 Ba0.51 Fe1.68 H4 O18	P -4 3 m	7.85; 7.85; 7.85 90; 90; 90	483.737	Mills, S. J.; Rumsey, M. S.; Favreau, G.; Spratt, J.; Raudsepp, M.; Dini, M. Bariopharmacoalumite, a new mineral species from Cap Garonne, France and Mina Grande, Chile Mineralogical Magazine, 2011, 75, 135-144
9014209	CIF	Cu4 H6 Mo2 O16 U	B 1 1 2/m	19.8392; 5.5108; 6.1009 90; 90; 104.477	645.832	Tali, R.; Tabachenko, V. V.; Kovba, L. M. Crystal structure of Cu4UO2(MoO4)2(OH)6 Russian Journal of Inorganic Chemistry, 1993, 38, 1350-1352
9014208	CIF	Al8.517 B3.54 Be0.03 Ca0.241 Fe0.189 H3.32 Li0.342 Mg0.009 Mn0.006 Na0.48 O31 Si5.13 Ti0.009	R 3 m :H	15.7713; 15.7713; 7.076 90; 90; 120	1524.24	Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F. Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T2 American Mineralogist, 2004, 89, 447-454
9014206	CIF	Ba0.5 Cu O10 Si4 Sr0.5	P 4/n c c :2	7.39533; 7.39533; 15.8482 90; 90; 90	866.752	Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 100 K European Journal of Mineralogy, 2007, 19, 189-200
9014205	CIF	Ca0.978 H8 O10 Sr0.022 V2	I 1 2/a 1	14.6389; 6.9591; 17.052 90; 102.568; 90	1695.52	Kampf, A. R.; Marty, J.; Nash, B. P.; Plasil, J.; Kasatkin, A. V.; Skoda, R. Calciodelrioite, Ca(VO3)2(H2O)4, the Ca analogue of delrioite, Sr(VO3)2(H2O)4 Mineralogical Magazine, 2012, 76, 2803-2817
9014204	CIF	C Fe O3	R -3 c :H	4.358; 4.358; 12.62 90; 90; 120	207.57	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 P24, P = 52.6 GPa Physical Review B, 2010, 82, 064110-064118
9014203	CIF	Cr2 O3	R -3 c :H	4.785; 4.785; 13.162 90; 90; 120	260.986	Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 29.6 GPa American Mineralogist, 2012, 97, 1764-1770
9014202	CIF	B Ca H O5 Si	P 1 21/c 1	4.8303; 7.6011; 9.6292 90; 90.18; 90	353.54	Rinaldi, R.; Gatta, G. D.; Angel, R. J. Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study Note: T = 160 K American Mineralogist, 2010, 95, 1413-1421
9014197	CIF	As4 H22 Mg3.5 O26 Zn1.5	P -1	7.797; 11.44; 6.616 115.31; 95.77; 93.87	526.762	Dorner, R.; Weber, K. Die Kristallstruktur von Chudobait, (Mg,Zn)5H2[AsO4]4*10H2O Note: many positional parameters were edited according to ICSD because they were missing negative signs Naturwissenschaften, 1976, 63, 243-243
9014195	CIF	Al2 Co0.59 Mg0.41 O4	F d -3 m :2	8.0943; 8.0943; 8.0943 90; 90; 90	530.32	Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl45 American Mineralogist, 2012, 97, 1834-1840
9014194	CIF	Ca2.736 O12 Pb0.264 Te2 Zn2.871	I a -3 d	12.635; 12.635; 12.635 90; 90; 90	2017.09	Mills, S. J.; Kampf, A. R.; Kolitsch, U.; Housley, R. M.; Raudsepp, M. The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2 American Mineralogist, 2010, 95, 933-938
9014192	CIF	Al5.478 B3 Ca0.029 Fe3.522 Na0.971 O31 Si6	R 3 m :H	15.918; 15.918; 7.26 90; 90; 120	1593.1	Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E. Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample bls2h2, heated a second time in air at 750 C for 72 h American Mineralogist, 2012, 97, 1402-1416
9014191	CIF	Al2 Mg3 O12 Si3	I a -3 d	11.4592; 11.4592; 11.4592 90; 90; 90	1504.74	Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 322.8 K American Mineralogist, 2011, 96, 1593-1605
9014190	CIF	As0.04 Ca0.88 F0.73 H0.24 Na0.88 Nb0.14 O6 Pb0.02 Si0.12 Ta1.7	F d -3 m :2	10.4396; 10.4396; 10.4396 90; 90; 90	1137.76	Andrade, M. B.; Atencio, D.; Menezes, L. A. D.; Ellena, J. The crystal structure of a microlite-group mineral with a formula near NaCaTa2O6F from the Morro Redondo mine, Coronel Murta, Minas Gerias, Brazil The Canadian Mineralogist, 2011, 49, 615-621
9014189	CIF	Al2 Mg3 O12 Si3	I a -3 d	11.4548; 11.4548; 11.4548 90; 90; 90	1503.01	Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 273.6 K American Mineralogist, 2011, 96, 1593-1605
9014186	CIF	C Fe O3	R -3 c :H	4.485; 4.485; 13.19 90; 90; 120	229.774	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 P18_HS, P = 45.13 GPa Physical Review B, 2010, 82, 064110-064118
9014185	CIF	Bi2 Pb3 S6	P b n m	11.026; 23.023; 4.0233 90; 90; 90	1021.32	Olsen, L. A.; Balic Zunic, T.; Makovicky, E. High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 5.27 GPa Note: occupancies not refined Note: phase known as beta-Pb3Bi2S6 Inorganic Chemistry, 2008, 47, 6756-6762
9014184	CIF	Fe Nb0.13 O6 Ta1.87	P 42/m n m	4.7511; 4.7511; 9.2648 90; 90; 90	209.134	Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim24_q2, treated at 700 C for 120 min Mineralogical Magazine, 2006, 70, 319-328
9014181	CIF	Ba0.5 Cu O10 Si4 Sr0.5	P 4/n c c :2	7.3964; 7.3964; 15.8466 90; 90; 90	866.916	Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 25 K European Journal of Mineralogy, 2007, 19, 189-200
9014180	CIF	Fe2 H2 O10 Pb V2	C 1 2/m 1	9.294; 6.166; 7.713 90; 115.57; 90	398.717	Krause, W.; Belendorff, K.; Bernhardt, H. J.; McCammon, C. A.; Effenberger, H.; Mikenda, W. Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite European Journal of Mineralogy, 1998, 10, 179-206
9014179	CIF	Ba O3 Ti	R 3 m :R	4.0057; 4.0057; 4.0057 89.846; 89.846; 89.846	64.273	Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 150 K Journal of Physical Chemistry, 1993, 97, 2368-2377
9014178	CIF	Fe0.43 Pb2.01 S6 Sn2.56	C -1	5.805; 5.856; 17.338 94.97; 88.45; 89.94	586.955	Makovicky, E.; Petricek, V.; Dusek, M.; Topa, D. The crystal structure of franckeite, Pb21.7Sn9.3Fe4.0Sb8.1S56.9 American Mineralogist, 2011, 96, 1686-1702
9014177	CIF	Al4 Ba0.08 Fe2.26 H4 Mg0.74 O26 P3.92 Sr1.92 V0.08	P -1	5.457; 9.131; 9.769 108.47; 91.72; 97.44	456.5	Leone, P.; Palvadeau, P.; Moelo, Y. Structure cristalline d'un nouvel hydroxyphosphate naturel de strontium, fer et aluminium (lulzacite), Sr2Fe(Fe0,63Mg0,37)2Al4(PO4)4(OH)10 Chimie de l'etat Solide et Cristallochimie, 2000, 3, 301-308
9014175	CIF	O2 Pb	P 42/m n m	4.9577; 4.9577; 3.3879 90; 90; 90	83.27	Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J. Structural studies of rutile-type metal dioxides Acta Crystallographica, Section B, 1997, 53, 373-380
9014174	CIF	Fe5 Si3	P 63/m c m	6.7522; 6.7522; 4.74 90; 90; 120	187.154	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 = 0.0001 GPa Solid State Sciences, 2004, 6, 673-678
9014173	CIF	H8 O12 S2 U	P n m a	14.6464; 11.0786; 5.691 90; 90; 90	923.431	Plasil, J.; Fejfarova, K.; Novak, M.; Dusek, M.; Skoda, R.; Hlousek, J.; Cejka, J.; Majzlan, J.; Sejkora, J.; Machovic, V.; Talla, D. Behounekite, U(SO4)2(H2O)4, From Jachymov (St Joachimsthal), Czech Republic: the first natural U4+ sulphate Mineralogical Magazine, 2011, 75, 2739-2753
9014172	CIF	Bi2 Pb3 S6	B b m m	13.216; 20.163; 4.03 90; 90; 90	1073.89	Olsen, L. A.; Balic Zunic, T.; Makovicky, E. High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 3.73 GPa Note: occupancies not refined Inorganic Chemistry, 2008, 47, 6756-6762
9014168	CIF	Al7.194 B3 Ca0.66 F0.432 Fe0.093 H3.567 Li1.647 Mn0.051 Na0.272 O30.567 Pb0.005 Si6 Ti0.009	R 3 m :H	15.8368; 15.8368; 7.1014 90; 90; 120	1542.44	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L26, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9014166	CIF	Al2 Be3 O18 Si6	P 6/m c c	9.212; 9.212; 9.187 90; 90; 120	675.169	Gibbs, G. V.; Breck, D. W.; Meagher, E. P. Structural refinement of hydrous and anhydrous synthetic beryl, Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18 Note: anhydrous beryl Lithos, 1968, 1, 275-285
9014165	CIF	Al1.46 Fe0.539 Mg1.001 O4	F d -3 m :2	8.1708; 8.1708; 8.1708 90; 90; 90	545.499	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 650 C Annealing time = 46,161 min European Journal of Mineralogy, 2012, 24, 633-643
9014164	CIF	H8 Mn O8 S	P 1 21/n 1	5.9753; 13.8186; 8.0461 90; 90.826; 90	664.3	Anderson, J. L.; Peterson, R. C.; Swainson, I. The atomic structure of deuterated boyleite ZnSO4*4D2O, ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O American Mineralogist, 2012, 97, 1905-1914
9014163	CIF	Al6.09 B3 Ca0.05 F0.28 Fe0.12 H6.72 K0.01 Mg2.679 Na0.9 O30.72 Si6 Ti0.03	R 3 m :H	15.935; 15.935; 7.201 90; 90; 120	1583.54	Ertl, A.; Marschall, H.; Geister, G.; Henry, D.; Schertl, H. P.; Ntaflos, T.; Luvizotto, G.; Nasdala, L.; Tillmanns, E. Metamorphic ultrahigh-pressure tourmaline: structure, chemistry, and correlations to P-T conditions American Mineralogist, 2010, 95, 1-10
9014162	CIF	O3 Sn Sr	P b n m	5.707; 5.707; 8.064 90; 90; 90	262.643	Vegas, A.; Vallet-Regi M; Gonzalez-Calbet J M; Alario-Franco M A The ASnO3 (A = Ca, Sr) perovskites Acta Crystallographica, Section B, 1986, 42, 167-172
9014160	CIF	Al5.94 B3 Ca0.36 Cr0.18 Fe0.18 H4 Mg2.04 Na0.46 O31 Si5.64 Ti0.06 V1.11	R 3 m :H	15.967; 15.967; 7.191 90; 90; 120	1587.69	Foit, F. F.; Rosenberg, P. E. The structure of vanadium-bearing tourmaline and its implications regarding tourmaline solid solutions American Mineralogist, 1979, 64, 788-798
9014159	CIF	Al1.32 Ba0.02 F0.1 Fe0.18 H1.9 K0.84 Mg2.52 Mn0.12 Na0.07 O11.9 Si2.8 Ti0.03	C 1 2/m 1	5.316; 9.221; 10.282 90; 99.9; 90	496.507	Knurr, R. A.; Bailey, S. W. Refinement of Mn-substituted muscovite and phlogopite Sample: manganophyllite, type 1M Clays and Clay Minerals, 1986, 34, 7-16
9014158	CIF	Al0.82 Ca3 Cr1.15 O12 Si3 Ti0.03	I a -3 d	11.9204; 11.9204; 11.9204 90; 90; 90	1693.84	Righter, K.; Sutton, S.; Danielson, L.; Pando, K.; Schmidt, G.; Yang, H.; Berthet, S.; Newville, M.; Choi, Y.; Downs, R. T.; Malavergne, V. The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt pairs and the relation to terrestrial mantle V and Cr content Note: R060477 American Mineralogist, 2011, 96, 1278-1290
9014157	CIF	Al2 H4 Mn O10 Si2	C c c a :2	13.831; 20.296; 5.121 90; 90; 90	1437.54	Naumova, I. S.; Pobedimskaya, E. A.; Belov, N. V. Crystal structure of carpholite MnAl2(Si2O6)(OH)4 Kristallografiya, 1974, 19, 1155-1160
9014156	CIF	Fe5 Si3	P 63/m c m	6.5412; 6.5412; 4.558 90; 90; 120	168.896	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 = 30 GPa Solid State Sciences, 2004, 6, 673-678
9014153	CIF	B Ca H O3	P 1 21/m 1	6.6994; 5.4269; 3.5534 90; 93.048; 90	129.008	Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X. Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 295 K The Canadian Mineralogist, 2011, 49, 823-834
9014152	CIF	Al2.66 Be2 F2 K0.46 Na6.2 O39 Si15.34	P -3 m 1	14.3446; 14.3446; 4.8455 90; 90; 120	863.468	Armstrong, J. A.; Friis, H.; Lieb, A.; Finch, A. A.; Weller, M. T. Combined single-crystal X-ray and neutron powder diffraction structure analysis exemplified through full structure determinations of framework and layer beryllate minerals American Mineralogist, 2010, 95, 519-526
9014151	CIF	La0.4 Nb2 O6 Sr0.6	P n m a	11.055; 7.658; 5.578 90; 90; 90	472.229	Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M. Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd] Materials Research Bulletin, 1994, 29, 743-749
9014150	CIF	Al0.55 Ca2 Fe1.45 O5	I 2 m b	5.2866; 14.3321; 5.5163 90; 90; 90	417.959	Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 7.73 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504
9014149	CIF	H5.08 K0.92 O12 S U2	C 1 2/m 1	8.7802; 13.9903; 8.863 90; 104.524; 90	1053.92	Plasil, J.; Mills, S. J.; Fejfarova, K.; Dusek, M.; Novak, M.; Skoda, R.; Cejka, J.; Sejkora, J. The crystal structure of natural zippeite, K1.85H+0.15[(UO2)4O2(SO4)2(OH)2](H2O)4, from Jachymov, Czech Republic The Canadian Mineralogist, 2011, 49, 1089-1103
9014148	CIF	Cl3.9 Cu18 H34.32 N0.66 O36.36 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 = 100 K Mineralogical Magazine, 2003, 67, 47-60
9014147	CIF	Al4 B10.8 Be4.84 Cs0.553 K0.332 O28	P -4 3 m	7.3149; 7.3149; 7.3149 90; 90; 90	391.404	Pekov, I. V.; Yakubovich, O. V.; Massa, W.; Chukanov, N. V.; Kononkova, N. N.; Agakhanov, A. A.; Karpenko, V. Y. Londonite from the Urals, and new aspects of the crystal chemistry of the rhodozite-londonite series, Note: sample FMM-32135 The Canadian Mineralogist, 2010, 48, 241-254
9014146	CIF	Ag0.985 Cu0.005	P 63/m m c	2.88; 2.88; 9.62 90; 90; 120	69.102	Novgorodova, M. I.; Gorshkov, A. I.; Mokhov, A. V. Native silver and its new structural modifications Note: sample DV-300, known as silver 4H International Geology Review, 1981, 23, 485-494
9014143	CIF	As4 Cu6 Hg3 S12	R 3 :H	13.73; 13.73; 9.329 90; 90; 120	1523.02	Nowacki, W. Isotypy in aktashite Cu6Hg3As4S12 and nowackiite Cu6Zn3As4S12 Soviet Physics Crystallography, 1982, 27, 26-27
9014142	CIF	Al7.224 B3 Ca0.636 F0.708 Fe0.045 H3.291 Li1.593 Mg0.003 Mn0.135 Na0.282 O30.291 Pb0.02 Si6 Ti0.003	R 3 m :H	15.8363; 15.8363; 7.104 90; 90; 120	1542.91	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L7, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9014140	CIF	Ge O2	P 32 2 1	4.9097; 4.9097; 5.6249 90; 90; 120	117.424	Yamanaka, T.; Ogata, K. Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 2.9 GPa T = 493 K Note: quartz structure Journal of Applied Crystallography, 1991, 24, 111-118
9014138	CIF	Ca H10 K2 O15 Si4	P 1 21/n 1	6.4934; 6.9919; 32.087 90; 94.68; 90	1451.93	Zubkova, N. V.; Filinchuk, Y. E.; Pekov, I. V.; Pushcharovsky, D. Y.; Gobechiya, E. R. Crystal structures of shlykovite and cryptophyllite: comparative crystal chemistry of phyllosilicate minerals of the mountainite family European Journal of Mineralogy, 2010, 22, 547-555
9014133	CIF	Al8.55 B3.906 H3 Li0.45 Na0.79 O31 Si5.094	R 3 m :H	15.746; 15.746; 7.075 90; 90; 120	1519.14	Ertl, A.; Giester, G.; Ludwig, T.; Meyer, H. P.; Rossman, G. R. Synthetic B-rich olenite: Correlations of single-crystal structural data Note: sample ElbK-9 American Mineralogist, 2012, 97, 1591-1597
9014132	CIF	Ca H12 O17 Si2 U2	P 1 21/a 1	13.947; 15.465; 6.626 90; 91.399; 90	1428.74	Barinova, A. V.; Rastsvetaeva, R. K.; Sidorenko, G. A.; Verin, I. A. Crystal structure of beta-uranophane from the Transbaikal region and its relation to the structure of the alpha modification Crystallography Reports, 2003, 48, 12-15
9014130	CIF	Ba0.02 Ca1.34 Ce0.02 Dy0.02 K0.52 Na0.68 Nd0.04 O20 Pr0.01 Si8 Sm0.01 Th0.26 U0.59	P 4/m c c	7.5505; 7.5505; 14.7104 90; 90; 90	838.641	Uvarova, Y. A.; Sokolova, E. V.; Hawthorne, F. C.; Agakhanov, A. A.; Pautov, L. A. The crystal structure of arapovite, U4+(Ca,Na)2(K1-x_x)[Si8O20],x~0.5, a new mineral species of the steacyite group from the Dara-i-Pioz moraine, Tien-Shan Mountains, Tajikistan The Canadian Mineralogist, 2004, 42, 1005-1011
9014129	CIF	H8 Mg O8 S	C 1 2/c 1	11.9236; 5.1736; 12.1958 90; 117.548; 90	667.037	Peterson, R. C. Cranswickite MgSO4*4H2O, a new mineral from Calingasta, Argentina American Mineralogist, 2011, 96, 869-877
9014126	CIF	Al0.07 Ca2 Fe1.72 H Mg0.04 Mn0.17 O15 Si5	P -1	7.497; 12.225; 6.71 86.18; 93.9; 112.27	567.231	Tagai, T.; Joswig, W.; Fuess, H. Neutron diffraction study of babingtonite at 80 K Note: T = 80 K Mineralogical Journal, 1990, 15, 8-18
9014124	CIF	Ag1.621 Bi9.379 Cu4 Pb2 S19	C 1 2/m 1	13.3801; 4.0007; 31.083 90; 93.064; 90	1661.49	Topa, D.; Makovicky, E.; Ilinca, G.; Dittrich, H. Cupromakopavonite, Cu8Ag3Pb4Bi19S38, a new mineral species, its crystal structure and the cupropavonite homologous series The Canadian Mineralogist, 2012, 50, 295-312
9014123	CIF	Cl3 Mn0.508 Na21.492 O40 S10	I -4 3 d	15.9291; 15.9291; 15.9291 90; 90; 90	4041.79	Demartin, F.; Campostrini, I.; Castellano, C.; Gramaccioli, C. M.; Russo, M. D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3, two new minerals from volcanic fumaroles Mineralogical Magazine, 2012, 76, 2773-2783
9014122	CIF	Na1.74 Nb2 Nd0.09 O6	P b c m	5.51; 5.5563; 15.567 90; 90; 90	476.587	Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G. Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: Nb2/3-x Na3x Nb2O6 synthesized at 1330 deg C Note: x = .58, Nd.09Na1.74Nb2O6 Inorganic Materials, 2004, 40, 1324-1330
9014120	CIF	Be O	P 63 m c	2.6983; 2.6983; 4.3776 90; 90; 120	27.602	Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: Crystal no. 1 in air Journal of Applied Physics, 1986, 59, 3728-3733
9014118	CIF	Na Nb O3	P b m a	5.566; 15.52; 5.506 90; 90; 90	475.632	Sakowski-Cowley A C; Lukaszewicz, K.; Megaw, H. D. The structure of sodium niobate at room temperature, and the problem of reliability in pseudosymmetric structures Acta Crystallographica, Section B, 1969, 25, 851-865
9014117	CIF	Mg O3 Si	P b c a	18.21; 8.82; 5.1767 90; 90; 90	831.441	Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 0.00010(1) GPa American Mineralogist, 2012, 97, 1741-1748
9014116	CIF	Ca0.25 Ce0.348 Fe0.03 Gd0.01 La0.12 Nb1.14 Nd0.14 O6 Pr0.04 Sm0.02 Sr0.01 Th0.06 Ti0.86 Y0.02	P n m a	11.0563; 7.56; 5.3637 90; 90; 90	448.328	Morrison, S. M.; Downs, R. T.; Domanik, K. J.; Yang, H.; Doell, D. Nioboaeschynite-(Ce), Ce(NbTi)O6 Acta Crystallographica, Section E, 2012, 68, i64-i65
9014115	CIF	C2.63 Ca0.14 Ce0.84 F1.72 La0.9 Na Nd0.08 O7.89 Pr0.02 Sm0.02	P -6 m 2	5.1131; 5.1131; 8.6759 90; 90; 120	196.433	Piilonen, P. C.; McDonald, A. M.; Grice, J. D.; Cooper, M. A.; Kolitsch, U.; Rowe, R.; Gault, R. A.; Poirier, G. Arisite-(La), a new REE-fluorcarbonate mineral from the Aris phonolite (Namibia), with descriptions of the crystal structures of arisite-(La) and arisite-(Ce) Note: x-coordinate of O1 adjusted to special position Mineralogical Magazine, 2010, 74, 257-268
9014114	CIF	Al1.461 Fe0.539 Mg O4	F d -3 m :2	8.1699; 8.1699; 8.1699 90; 90; 90	545.318	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 = 1 min European Journal of Mineralogy, 2012, 24, 633-643
9014113	CIF	Fe	F m -3 m	3.468; 3.468; 3.468 90; 90; 90	41.71	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 = 27.44 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420
9014112	CIF	Nb2 O6 Pb	R 3 m :H	10.501; 10.501; 11.555 90; 90; 120	1103.47	Mahe, R. Etude structurale du metaniobate de plombe rhomboedrique II. - Positions des atomes Bulletin de la Societe Chimique de France, 1967, 1967, 1879-1884
9014111	CIF	Al3 Ca2 H O13 Si3	P n m a	16.1124; 5.4917; 9.911 90; 90; 90	876.97	Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 4.025 GPa American Mineralogist, 2012, 97, 1165-1176
9014108	CIF	Al1.609 Fe0.39 Mg1.001 O4	F d -3 m :2	8.1462; 8.1462; 8.1462 90; 90; 90	540.587	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 = 45 min European Journal of Mineralogy, 2012, 24, 633-643
9014107	CIF	H7 Mg2 Na O11 P2	P b c a	16.295; 13.009; 8.434 90; 90; 90	1787.85	Atencio, D.; Chukanov, N. V.; Nestola, F.; Witzke, T.; Coutinho, J. M. V.; Zadov, A. E.; Contreira, R. R.; Farber, G. Mejillonesite, a new acid sodium, magnesium phosphate mineral, from Mejillones, Antofagasta, Chile American Mineralogist, 2012, 97, 19-25
9014106	CIF	Mn0.5 O	P 63 m c	2.786; 2.786; 4.412 90; 90; 120	29.657	Kondrashev, Y. D.; Zaslavskii, A. I. The structure of the modifications of manganese oxide Izvestiya Akademii Nauk SSSR, 1951, 15, 179-186
9014105	CIF	Al0.03 Ca2 Fe1.366 H Mg0.344 Mn0.26 O15 Si5	P -1	7.48; 12.159; 6.678 86.1; 93.92; 112.08	560.91	Armbruster, T. Cation distribution in Mg, Mn-bearing babingtonite from Arvigo, Val Calanca, Grisons, Switzerland Note: Sample NMBE 34974 Schweizerische Mineralogische und Petrographische Mitteilungen, 2000, 80, 279-284
9014104	CIF	Al4.56 B3 Ca0.48 F0.18 Fe2.01 H6.18 K0.01 Mg2.19 Na0.49 O30.82 Si6 Ti0.21	R 3 m :H	16.017; 16.017; 7.256 90; 90; 120	1612.09	Camara, F.; Ottolini, L.; Hawthorne, F. C. Crystal chemistry of three tourmalines by SREF, EMPA and SIMS Sample: Crystal 1 American Mineralogist, 2000, 87, 1437-1442
9014103	CIF	Na Nb O3	P 21 m a	5.571; 7.766; 5.513 90; 90; 90	238.517	Johnston, K. E.; Tang, C. C.; Parker, J. E.; Knight, K. S.; Lightfoot, P.; Ashbrook, S. E. The polar phase of NaNbO3: a combined study by powder diffraction, solid-state NMR and first-principles calculations Note: this is a polymorph of lueshite Journal of the American Chemical Society, 2010, 132, 8732-8746
9014102	CIF	Cr2 Fe S4	F d -3 m :2	9.9763; 9.9763; 9.9763 90; 90; 90	992.907	Lo Presti, L.; Destro, R. Experimental and theoretical charge density distribution of the colossal magnetoresistive transition metal sulfide FeCr2S4 T = 23 K Journal of Chemical Physics, 2008, 128, 044710-044719
9014101	CIF	Al2.08 Ca2 Fe0.39 H Mn0.53 O13 Si3	P 1 21/m 1	8.8817; 5.6543; 10.163 90; 115.435; 90	460.914	Nagashima, M.; Akasada, M. X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=0.5, run 22 American Mineralogist, 2010, 95, 1237-1246
9014099	CIF	As2.56 Cl9 Mo0.16 O36.7 Pb32 Si0.96 V0.32	C 1 2/c 1	23.139; 22.684; 12.389 90; 102.09; 90	6358.57	Siidra, O. I.; Krivovichev, S. V.; Turner, R. W.; Rumsey, M. S.; Spratt, J. Crystal chemistry of layered Pb oxychloride minerals with PbO-related structures: Part I. Crystal structure of hereroite, [Pb32O20(O,[_])](AsO4)2[(Si,As,V,Mo)O4]2Cl10 American Mineralogist, 2013, 98, 248-255
9014098	CIF	Al0.2 B2 Fe1.404 Mg3.976 O10 Ti0.42	P b a m	9.26; 12.294; 3.0236 90; 90; 90	344.214	Brovkin, A. A.; Rozhdestvenskaya, I. V.; Rykova, E. A. Cation distribution in the structure of titanium-containing ludwigite Note: to be the mineral azoproite, Ti+Mg must be greater than Fe3+ in M4 site Note: Uiso values have been divided by 100 Crystallography Reports, 2002, 47, 412-414
9014097	CIF	Al2 Mg3 O12 Si3	I a -3 d	11.4508; 11.4508; 11.4508 90; 90; 90	1501.44	Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 223.3 K American Mineralogist, 2011, 96, 1593-1605
9014094	CIF	Al7.173 B3 Ca0.517 F0.589 Fe0.09 H3.411 Li1.395 Mg0.102 Mn0.234 Na0.386 O30.411 Pb0.021 Si6 Ti0.003	R 3 m :H	15.8548; 15.8548; 7.1099 90; 90; 120	1547.8	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L4, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9014093	CIF	Al3.72 H19.36 Na3.16 O33.68 Si8.28	R -3 m :R	9.425; 9.425; 9.425 94.06; 94.06; 94.06	830.61	Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F. Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: Na-exchanged Zeolites, 1982, 2, 303-309
9014092	CIF	Al2 H56 Mg O57 V10	P c c n	16.3357; 24.2434; 11.7343 90; 90; 90	4647.17	Kampf, A. R.; Hughes, J. M.; Marty, J.; Nash, B. Postite, Mg(H2O)6Al2(OH)2(H2O)8(V10O28)*13H2O, a new mineral species from the La Sal Mining District, Utah: Crystal structure and descriptive mineralogy The Canadian Mineralogist, 2012, 50, 45-53
9014091	CIF	Al6 F6 H72 Mg0.5 O64 S7	R -3 :H	22.01; 22.01; 9.238 90; 90; 120	3875.69	Demartin, F.; Gramaccioli, C. M.; Campostrini, I.; Castellano, C. Cossaite, (Mg0.5,_)Al6(SO4)6(HSO4)F6*36H2O, a new mineral from La Fossa crater, Vulcano, Aeolian Islands, Italy Note: H atom in HSO4 group was not located Mineralogical Magazine, 2011, 75, 2847-2855
9014090	CIF	As Cu3 S4	P m n 21	7.426; 6.4521; 6.1631 90; 90; 90	295.294	Henao, J. A.; Diaz de Delgado, G.; Delgado, J. M.; Castrillo, F. J.; Odreman, O. Single-crystal structure refinement of enargite [Cu3AsS4] Note z-coordinate of S1 changed from .4592 to match reported bond lengths Materials Research Bulletin, 1994, 29, 1121-1127
9014088	CIF	Al2 Ca H4 O10 Si2	C m c m	5.849; 8.79; 13.132 90; 90; 90	675.152	Pawley, A. R.; Allan, D. R. A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN82, P = 0 GPa Mineralogical Magazine, 2001, 65, 41-58
9014087	CIF	Cl6 Co Fe H18 N6	P a -3	11.2506; 11.2506; 11.2506 90; 90; 90	1424.06	Beattie, J. K.; Moore, C. J. Crystal and molecular structures of rinneite, sodium tripotassium hexachloroferrate(II), and hexaamminecobalt(III) hexachloroferrate(III). Comparison of iron-chloride distances in hexachloroferrates(II) and -(III) Inorganic Chemistry, 1982, 21, 1292-1295
9014084	CIF	Al7 B3 Ca0.452 F0.327 H3.39 K0.04 Li2 Na0.435 O30.672 Si6	R 3 m :H	15.882; 15.882; 7.115 90; 90; 120	1554.23	Aurisicchio, C.; Demartin, F.; Ottolini, L.; Pezzotta, F. Homogeneous liddicoatite from Madagascar: a possible reference material? First EMPA, SIMS and SREF data Sample: 2 European Journal of Mineralogy, 1999, 11, 237-242
9014082	CIF	Al3.84 Ca1.6 H30.08 K0.17 Mg0.4 O39.04 Si8.16 Sr0.34	R -3 m :R	9.428; 9.428; 9.428 94.14; 94.14; 94.14	831.133	Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F. Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: Natural chabazite Zeolites, 1982, 2, 303-309
9014081	CIF	Ba Be2 O7 Si2	P n 21 a	9.79; 11.01; 4.63 90; 90; 90	499.058	Abrashev, K. K.; Ilyukhin, V. V.; Belov, N. V. Crystal structure of barylite, BaBe2Si2O7 Coordinates of x(O2), z(O3), x(O7), z(Be1) modified acording to ICSD Soviet Physics Crystallography, 1965, 9, 691-699
9014079	CIF	Fe3 H20 K5 O35 S6	P 1 21/c 1	9.491; 18.474; 18.109 90; 92.38; 90	3172.43	Mereiter, K.; Vollenkle, H. Die Kristallstruktur von beta-pentakalium-[mu3-oxo-hexa-mu-sulfato- triquatriesen(III)]-Heptahydrat - eine monokline Modifikation des Masschen Salzes Acta Crystallographica, Section B, 1978, 34, 378-384
9014078	CIF	Al2 H19 O18 P S	P 1 21/n 1	13.9163; 17.2422; 6.1125 90; 98.255; 90	1451.48	Colombo, F.; Rius, J.; Pannunzio-Miner E V; Pedregosa, J. C.; Cami, G. E.; Carbonio, R. E. Sanjuanite: Ab Initio crystal-structure solution from laboratory powder-diffraction data, complemented by FTIR spectroscopy and DT-TG analyses Pocito Department, San Juan Province, Argentina The Canadian Mineralogist, 2011, 49, 835-847
9014075	CIF	Al2 Ca0.59 H4 O10 Si2 Sr0.41	P 1 21/m 1	5.351; 13.2073; 5.8443 90; 124.17; 90	341.731	Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU87 American Mineralogist, 2010, 95, 724-735
9014074	CIF	Ba O3 Ti	R 3 m :R	4.0043; 4.0043; 4.0043 89.855; 89.855; 89.855	64.206	Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 180 K Journal of Physical Chemistry, 1993, 97, 2368-2377
9014073	CIF	Ca9 F0.784 H1.2 O17.216 Si4	P 21/b 1 1	5.0672; 11.3545; 15.3941 100.587; 90; 90	870.63	Galuskin, E. V.; Lazic, B.; Armbruster, T.; Galuskina, I. O.; Pertsev, N. N.; Gazeev, V. M.; Wlodyka, R.; Dulski, M.; Dzierzanowski, P.; Zadov, A. E.; Dubrovinsky, L. S. Edgrewite Ca9(SiO4)4F2-hydroxyledgrewite Ca9(SiO4)4(OH)2, a new series of calcium humite-group minerals from altered xenoliths in the ignimbrite of Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia American Mineralogist, 2012, 97, 1998-2006
9014071	CIF	C0.097 H3.224 Cr0.19 Mg0.81 O2.903	P 63/m m c	3.09646; 3.09646; 15.627 90; 90; 120	129.759	Mills, S. J.; Whitfield, P. S.; Wilson, S. A.; Woodhouse, J. N.; Dipple, G. M.; Raudsepp, M.; Francis, C. A. The crystal structure of stichtite, re-examination of barbertonite, and the nature of polytypism in MgCr hydrotalcites Note: Sample 92459, 2H1 polytype of stichtite American Mineralogist, 2011, 96, 179-187
9014069	CIF	Al1.33 Fe0.21 Mg0.16 O6 Si0.91	P -3 1 m	4.7621; 4.7621; 4.2964 90; 90; 120	84.379	Boffa Ballaran, T.; Frost, D. J.; Miyajima, N.; Heidelbach, F. The structure of a super-aluminous version of the dense hydrous-magnesium silicate phase D American Mineralogist, 2010, 95, 1113-1116
9014068	CIF	Al0.03 Ba0.6 Fe0.98 H0.4 Mg0.02 O11.4 Si0.86 V5.305 Zn0.11	P -3 m 1	5.75; 5.75; 14.459 90; 90; 120	414.004	Bartholomew, P. R.; Mancini, F.; Harlow, G. E.; Deifel, N.; Cahill, C.; Bernhardt, H. J. Greenwoodite, a new nesosilicate from British Columbia with a Ba-VOH coupled substitution and tetrahedral Fe: description and structure The Canadian Mineralogist, 2012, 50, 1233-1242
9014067	CIF	Cr2 O3	R -3 c :H	4.629; 4.629; 12.88 90; 90; 120	239.013	Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 63.9 GPa American Mineralogist, 2012, 97, 1764-1770
9014066	CIF	Ba0.06 Ca4.2 Ce0.82 F1.88 Gd0.04 La0.1 Na2.36 Nd1.14 O24 P5.88 Pr0.2 Si0.12 Sm0.22 Sr0.9	P -3	9.4553; 9.4553; 6.9825 90; 90; 120	540.62	Pekov, I. V.; Zubkova, N. V.; Husdal, T. A.; Kononkova, N. N.; Agakhanov, A. A.; Zadov, A. E.; Pushcharovsky, D. Y. Carlgieseckeite-(Nd), NaNdCa3(PO4)3F, a new belovite-group mineral species from the Ilimaussaq alkaline complex, South Greenland The Canadian Mineralogist, 2012, 50, 571-580
9014064	CIF	C2 H2 O12 Pb4 S	P 1 21/a 1	9.11; 20.82; 11.59 90; 90.46; 90	2198.21	Giuseppetti, G.; Mazzi, F.; Tadini, C. The crystal structure of leadhillite: Pb4(SO4)(CO3)2(OH)2 Neues Jahrbuch fur Mineralogie, Monatshefte, 1990, 1990, 255-268
9014061	CIF	B Ca H O3	P 1 21/m 1	6.722; 5.437; 3.555 90; 93; 90	129.748	Takahashi, R.; Kusachi, I.; Miura, H. Crystal structure of parasibirskite (CaHBO3) and polymorphism in sibirskite and parasibirskite Journal of Mineralogical and Petrological Sciences, 2010, 105, 70-73
9014060	CIF	As H7.5 K0.5 O9.5 U	P 4/n c c :2	7.171; 7.171; 18.048 90; 90; 90	928.087	Ross, M.; Evans, H. T. Studies of the torbernite minerals (I): The crystal structure of abernathyite and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O Sample: Abernathyite - K(H3O) American Mineralogist, 1964, 49, 1578-1602
9014059	CIF	Ca12 F K O26 S2 Si4	R -3 m :H	7.197; 7.197; 41.224 90; 90; 120	1849.2	Fayos, J.; Glasser, F. P.; Howie, R. A.; Lachowski, E.; Perez-Mendez M Structure of dodecacalcium potassium fluoride dioxide tetrasilicate bis(sulphate), KF.2[Ca6(SO4)(SiO4)20]: a fluorine-containing phase encountered in cement clinker production process Acta Crystallographica, Section C, 1985, 41, 814-816
9014058	CIF	Al6.109 B3.08 Ca0.09 F0.17 Fe0.06 H3.58 Li0.002 Mg2.73 Na0.82 O30.83 Si5.9 Ti0.11	R 3 m :H	15.941; 15.941; 7.201 90; 90; 120	1584.73	Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Dravite 43230 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266
9014057	CIF	Be O	P 63 m c	2.7178; 2.7178; 4.4078 90; 90; 120	28.196	Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 1183 K Journal of Applied Physics, 1986, 59, 3728-3733
9014056	CIF	Fe	F m -3 m	3.581; 3.581; 3.581 90; 90; 90	45.921	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 = 6.41 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420
9014053	CIF	Ca3 Cu0.92 O13 Si3	P n 2 n	5.6551; 3.683; 27.1372 90; 90; 90	565.206	Kampf, A. R.; Mills, S. J.; Merlino, S.; Pasero, M.; McDonald, A. M.; Wray, W. B.; Hindman, J. R. Whelanite, Cu2Ca6[Si6O17(OH)](CO3)(OH)3(H2O)2, an (old) new mineral from the Bawana mine, Milford, Utah Note: not all atoms could be located American Mineralogist, 2012, 97, 2007-2015
9014052	CIF	Ba2 Co O7 Si2	C 1 2/c 1	8.45; 10.729; 8.474 90; 111.365; 90	715.458	Adams, R. D.; Layland, R.; Payen, C.; Datta, T. Synthesis, structural analyses, and unusual magnetic properties of Ba2CoSi2O7 and BaCo2Si2O7 Note: Compound 1 Inorganic Chemistry, 1996, 35, 3492-3497
9014051	CIF	Al7.287 B3 Ca0.685 F0.685 Fe0.06 H3.315 Li1.617 Mn0.036 Na0.245 O30.315 Pb0.01 Si6 Ti0.003	R 3 m :H	15.8307; 15.8307; 7.1013 90; 90; 120	1541.23	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L16, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9014049	CIF	As S	P 1 21/n 1	8.827; 12.683; 6.213 90; 106.95; 90	665.347	Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 3.97 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412
9014048	CIF	Na Nb O3	P b m a	5.5679; 15.5156; 5.5029 90; 90; 90	475.392	Hewat, A. W. Neutron powder profile refinement of ferroelectric and antiferroelectric crystal structures: sodium niobate at 22 deg C Ferroelectrics, 1974, 7, 83-85
9014045	CIF	Al2 Mg3 O12 Si3	I a -3 d	11.5136; 11.5136; 11.5136 90; 90; 90	1526.28	Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 823.1 K American Mineralogist, 2011, 96, 1593-1605
9014043	CIF	C2 H10 Ca Cl O7	P 1 21/c 1	6.82; 13.72; 11.51 90; 116.7; 90	962.157	Giuseppetti, G.; Tadini, C.; Ungaretti, L. La struttura cristallina della calclacite Periodico di Mineralogia, 1970, 39, 145-158
9014042	CIF	Cu K2 O14 S2	P 1 21/c 1	6.159; 12.131; 9.086 90; 104.45; 90	657.384	Carapezza, M.; Di Sanseverino, L. R. Crystallography and genesis of double sulfates and their hydrates. II. Structure, powder pattern and thermoanalysis of cyanochroite, K2Cu(SO4)2*6H2O Mineralogica Petrographica Acta, 1968, 14, 23-37
9014041	CIF	Ni7 P7	C m c 21	23.801; 5.9238; 4.8479 90; 90; 90	683.517	Dera, P.; Lazarz, J. D.; Lavina, B. Pressure-induced development of bonding in NiAs type compounds and polymorphism of NiP Note: P = 5.79 GPa Journal of Solid State Chemistry, 2011, 184, 1997-2003
9014038	CIF	O7 W2	F d -3 m :2	10.206; 10.206; 10.206 90; 90; 90	1063.08	Nedjar, R.; Borel, M.; Hervieu, M.; Raveau, B. Une Nouvelle Forme de Trioxyde de Tungstene: Les Oxydes WO3 et WO3*0.5(H2O) a Structure Pyrochlore _cod_database_code 1001358 Materials Research Bulletin, 1988, 23, 91-97
9014036	CIF	Cr2 O3	R -3 c :H	4.957; 4.957; 13.5923 90; 90; 120	289.242	Sawada, H. Residual electron density study of chromium sesquioxide by crystal structure and scattering factor refinement Note: harmonic scattering factor refinement Materials Research Bulletin, 1994, 29, 239-245
9014034	CIF	C0.61 Na4 O7.39 S1.39	P m n m :2	5.17; 9.217; 7.058 90; 90; 90	336.327	Giuseppetti, G.; Mazzi, F.; Tadini, C. The crystal structure of synthetic burkeite Na4SO4(CO3)t(SO4)1-t Sample A Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths Neues Jahrbuch fur Mineralogie, Monatshefte, 1988, 1988, 203-221
9014033	CIF	Al Ca F6 H2 Na O	P 1 21/c 1	5.563; 5.541; 16.115 90; 96.35; 90	493.691	Adhikesavalu, D.; Cameron, T. S.; Knop, O. Thomsenolite, NaCaAlF6*H2O: hydrogen bonding and comparison with pachnolite Canadian Journal of Chemistry, 1985, 63, 3322-3327
9014032	CIF	Bi2 Pt	P a -3	6.7022; 6.7022; 6.7022 90; 90; 90	301.059	Furuseth, S.; Selte, K.; Kjekshus, A. Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2 Acta Chemica Scandinavica, 1965, 19, 735-741
9014030	CIF	As10 Cu13 H50 O63	P -1	6.424; 14.37; 16.559 102.882; 101.036; 98.022	1435.81	Sejkora, J.; Plasil, J.; Ondrus, P.; Veselovsky, F.; Cisarova, I.; Hlousek, J. Slavkovite, Cu13(AsO4)6(AsO3OH)4*23H2O, a new mineral species from Horni Slavkov and Jachymov, Czech Republic: Description and crystal-structure determination The Canadian Mineralogist, 2010, 48, 1157-1170
9014026	CIF	Cl10 Cu6.15 K0.62 O8 Pb1.45 Se2 Zn	P n n m	9.132; 19.415; 13.213 90; 90; 90	2342.64	Shuvalov, R. R.; Vergasova, L. P.; Semenova, T. F.; Filatov, S. K.; Krivovichev, S. V.; Siidra, O. I.; Rudashevsky, N. S. Prewittite, KPb1.5Cu6Zn(SeO3)2O2Cl10, a new mineral from Tolbachik fumaroles, Kamchatka peninsula, Russia: Description and crystal structure American Mineralogist, 2013, 98, 463-469
9014025	CIF	O4 Pb W	I 41/a :1	5.44505; 5.44503; 12.0495 90; 90; 90	357.249	Xu, K.; Xue, J.; Ding, Y.; Lu, G. Discovery of stolzite in China and refinement of its crystal structure Acta Geologica Sinica, 1995, 8, 111-116
9014024	CIF	Al5.451 B3 Ca0.062 F0.3 Fe3.549 H3.23 Na0.938 O30.7 Si6	R 3 m :H	16.043; 16.043; 7.247 90; 90; 120	1615.33	Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E. Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample bls2 American Mineralogist, 2012, 97, 1402-1416
9014023	CIF	Cl2 Cu5 H12 O10	C 1 2/m 1	10.3113; 6.7606; 8.8386 90; 111.468; 90	573.397	Hawthorne, F. C.; Cooper, M. A.; Grice, J. D.; Roberts, A. C.; Hubbard, N. Description and crystal structure of bobkingite, (Cu2+)5Cl2(OH)8(H2O)2, a new mineral from New Cliffe Hill Quarry, Stanton-under-Bardon, Leicestershire, UK Mineralogical Magazine, 2002, 66, 301-311
9014020	CIF	Ca1.78 Fe1.72 H2 K0.4 Mg3.404 Na0.56 O24 Si8	C 1 2/m 1	9.718; 17.87; 5.259 90; 105.8; 90	878.776	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 = 2.85 GPa American Mineralogist, 2010, 95, 1042-1051
9014019	CIF	Ni0.493 Ti0.507	P m -3 m	3.00896; 3.00896; 3.00896 90; 90; 90	27.243	Sitepu, H. Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Annealed Powder Diffraction, 2009, 24, 315-326
9014018	CIF	B Ca H O5 Si	P 1 21/c 1	4.8336; 7.6076; 9.6298 90; 90.165; 90	354.106	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
9014016	CIF	Ge O2	P 32 2 1	4.9113; 4.9113; 5.6099 90; 90; 120	117.187	Yamanaka, T.; Ogata, K. Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 1.69 GPa T = 293 K Note: quartz structure Journal of Applied Crystallography, 1991, 24, 111-118
9014015	CIF	C0.85 H1.998 Al2.82 Ca0.51 Na3.49 O15.549 Si3.18	P 63	12.627; 12.627; 5.136 90; 90; 120	709.179	Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# ggm44331 The Canadian Mineralogist, 2012, 49, 1129-1150
9014014	CIF	Al7.167 B3 Ca0.441 F0.681 Fe0.027 H3.318 Li1.278 Mn0.531 Na0.471 O30.318 Pb0.025 Si6	R 3 m :H	15.8675; 15.8675; 7.1135 90; 90; 120	1551.07	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L11, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9014013	CIF	As0.111 Cu0.889	P 63/m m c	2.588; 2.588; 4.226 90; 90; 120	24.513	Heyding, R. D.; Despault, G. J. G. The copper/arsenic system and the copper arsenide minerals Canadian Journal of Chemistry, 1960, 38, 2477-2481
9014011	CIF	C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3	P 63	12.24; 12.24; 4.843 90; 90; 120	628.359	Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 6.63 GPa American Mineralogist, 2012, 97, 872-882
9014010	CIF	B H3 O3	P -1	7.05; 7.05; 6.57 92.5; 101.17; 120	273.621	Zachariasen, W. H. The crystal lattice of boric acid, BO3H3 Zeitschrift fur Kristallographie, 1934, 88, 150-161
9014009	CIF	Al6.873 B3 F0.05 Fe1.188 H5.85 Li0.021 Mg0.819 Mn0.081 Na0.37 O30.95 Si5.958 Ti0.009 Zn0.009	R 3 m :H	15.9537; 15.9537; 7.1448 90; 90; 120	1574.87	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 TK3 European Journal of Mineralogy, 2012, 24, 695-715
9014006	CIF	Ni3 Sn	P m -3 m	3.738; 3.738; 3.738 90; 90; 90	52.23	Cannon, F. C. Effect of high pressure on the structure of AB3-type layered compounds Materials Research Society Symposia Proceedings, 1984, 22, 113-116
9014005	CIF	C3 K4 O11 U	C 1 2/c 1	10.24; 9.198; 12.222 90; 95.12; 90	1146.57	Han, J. C.; Rong, S. B.; Chen, Q. M.; Wu, X. R. The determination of the crystal structure of tetrapotassium uranyl tricarbonate by powder X-ray diffraction method Locality: synthetic Chinese Journal of Chemistry, 1990, 4, 313-318
9014004	CIF	C	P 6/m m m	4.89; 4.89; 3.88 90; 90; 120	80.349	Bucknum, M. J.; Castro, E. A. The carbon allotrope hexagonite and its potential synthesis from cold compression of carbon nanotubes Journal of Chemical Theory and Computation, 2006, 2, 775-781
9014003	CIF	C H8 B Na O8	C 1 2 1	16.119; 6.928; 6.73 90; 100.46; 90	739.066	Wang, L.; Zhou, K.; Shi, J. Refinement of the qilianshanite structure Geological Review, 1994, 40, 347-353
9014002	CIF	Cl O12 Pb5 V3	P 63/m	10.299; 10.299; 7.308 90; 90; 120	671.304	Laufek, F.; Skala, R.; Haloda, J.; Cisarova, I. Crystal structure of vanadinite: refinement of anisotropic displacement parameters Locality: Mibladen, Morocco Journal of the Czech Geological Society, 2006, 51, 271-275
9014001	CIF	Ba Fe12 O19	P 63/m m c	5.9291; 5.9281; 23.407 90; 90; 120	712.493	Collomb, A.; Wolfers, P.; Obradors, X. Neutron diffraction studies of some hexagonal ferrites: BaFe12O19, BaMg2-W and CaCo2-W Note: T = 470 C, neutron, refined with Rietveld Journal of Magnetism and Magnetic Materials, 1986, 62, 57-67
9014000	CIF	Cu H6 O14 Pb4 S2	P -1	5.796; 7.9471; 7.9836 111.994; 97.765; 100.426	326.939	Mereiter, K. Chenite, Pb4Cu(SO4)2(OH)6, from Susanna mine, Leadhills, Scotland. Note: Crystal is from the Paar et al (1986) mineral description paper Private communication, 2009
9013999	CIF	As0.02 Cu0.94 H O5 P0.98 Zn1.06	P n n m	8.323; 8.251; 5.861 90; 90; 90	402.493	Williams, P. A.; Leverett, P.; Birch, W. D.; Hibbs, D. E.; Kilitsch, U.; Mihajlovic, T. Zinc-rich zincolibethenite from Broken Hill, New South Wales Note: z-coordinate of O3 altered by communication with authors, April 2010 Australian Journal of Mineralogy, 2006, 12, 3-7
9013998	CIF	Mn Si	P 21 3	4.558; 4.558; 4.558 90; 90; 90	94.694	Lebech, B.; Bernhard, J.; Freltoft, T. Magnetic structures of cubic FeGe studied by small-angle neutron scattering Journal of Physics: Condensed Matter, 1989, 1, 6105-6122
9013997	CIF	H18 Na4 O19 Si4	P 1 21/c 1	9.8744; 12.3981; 14.8973 90; 104.675; 90	1764.29	Zubkova, N. V.; Pekov, I. V.; Pushcharovskii, D. Y.; Kazantsev, S. S. Crystal structure of yegorovite Na4[Si4O8(OH)4]*7H2O Doklady Earth Sciences, 2009, 427, 814-818
9013996	CIF	C0.31 H18 Al12 Ca2.23 Cl0.17 K2.16 Na11.61 O61.79 S2.7 Si12	P 3 1 c	12.892; 12.892; 21.34 90; 90; 120	3071.61	Rastsvetaeva, R. K.; Ivanova, A. G.; Chukanov, N. V.; Verin, I. A. Crystal structure of alloriite Doklady Earth Sciences, 2007, 415, 815-819
9013995	CIF	C H2 Ca4 O10.99 Si1.98	P 21 21 21	3.786; 10.916; 23.379 90; 90; 90	966.207	Rastsvetaeva, R. K.; Bolotina, N. B.; Zadov, A. E.; Chukanov, N. V. Crystal structure of fukalite dimorph Ca4[Si2O6](CO3)(OH)2 from the Gumeshevsk Deposit the Urals Doklady Earth Sciences, 2005, 1347-1351
9013994	CIF	Mn Si	P 21 3	4.548; 4.548; 4.548 90; 90; 90	94.072	Boren, B. Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel Zeitschrift fur Metallkunde, 1957, 48, 126-134
9013993	CIF	Fe3 H30 O12.236 S0.5	P -3 1 m	5.5241; 5.5241; 11.0113 90; 90; 120	291	Simon, L.; Francois, M.; Refait, P.; Renaudin, G.; Lelaurain, M.; Genin, J. M. R. Structure of Fe(II-III) layered double hydroxysulphate green rust two from Rietveld analysis Locality: synthetic Solid State Sciences, 2003, 5, 327-334
9013992	CIF	Ag10.332 As1.602 Cu5.668 S11 Sb0.398	P -3 m 1	7.2567; 7.2567; 11.8193 90; 90; 120	539.015	Bindi, L.; Pekov, I. V. Crystal chemistry of extremely Cu-rich cupropearceite from the Sarbay mine, Northern Kazakhstan Location: Sarbay mine, Northern Kazakhstan Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2009, 138, 44-50
9013991	CIF	Ca2 F O12 P3 Sr3	P 63	9.63; 9.63; 7.22 90; 90; 120	579.856	Klevtsova, R. F. The crystal structure of strontium-apatite Journal of Structural Chemistry, 1964, 5, 318-320
9013990	CIF	Al2 H5 O18 Si3.882 Tm0.935 Y2.115	P 1 21/n 1	5.7551; 14.752; 15.906 90; 96.046; 90	1342.9	Yakbovich, O. V.; Steele, I. M. The crystal structure of vyuntspakhite: a redetermination Crystallography Reports, 2009, 54, 822-830
9013989	CIF	Al3 Ca Cl K0.39 Na2.61 O14 S0.5 Si3	P 63	12.773; 12.773; 5.334 90; 90; 120	753.65	Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V. Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne Crystallography Reports, 2009, 54, 793-799
9013988	CIF	C0.5 H6 Al3 Ca0.04 K0.15 Na3.58 O14.25 Si3	P 63	12.688; 12.688; 5.189 90; 90; 120	723.437	Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V. Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne Locality: Kovdor massif, Kola Peninsula, Russia Note: Bruker SMART CCD diffractometer Crystallography Reports, 2009, 54, 793-799
9013987	CIF	C0.5 H6 Al3 Ca0.03 K0.18 Na3.53 O14.25 Si3	P 63	12.688; 12.688; 5.189 90; 90; 120	723.437	Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V. Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne Locality: Kovdor massif, Kola Peninsula, Russia Note: Enraf Nonius diffractometer Crystallography Reports, 2009, 54, 793-799
9013986	CIF	Ca10.381 O28 P7 Th0.119	R 3 c :H	10.4372; 10.4372; 37.4876 90; 90; 120	3536.6	Orlova, A. I.; Khainakov, S. A.; Loginova, E. E.; Oleneva, T. A.; Garcia Granda, S.; Kurazhkovskaya, V. S. Calcium thorium phosphate (whitlockite-type mineral). Synthesis and structure refinement Crystallography Reports, 2009, 54, 591-597
9013985	CIF	Al0.26 Be2 Ca Fe0.97 H8.5 Mg1.61 Mn0.18 O17 P3	C 1 2/c 1	15.876; 11.86; 6.607 90; 95.49; 90	1238.32	Rastsvetaeva, R. K.; Rozenberg, K. A.; Chukanov, N. V.; Mockel, S. The crystal structure of an iron-rich variety of zanazziite belonging to heteropolyhedral framework roscherite-group beryllophosphates Crystallography Reports, 2009, 54, 568-571
9013984	CIF	Ca3 H6 O10 Si2	P 1	16.33; 5.6389; 11.685 90.08; 126.446; 89.95	865.546	Rastsvetaeva, R. K.; Chukanov, N. V.; Zadov, A. E. Refined structure of afwillite from the northern Baikal region Crystallography Reports, 2009, 54, 418-422
9013983	CIF	Al2 Be2.34 Cs0.079 H2 Li0.66 Na0.419 O18.19 Si6	P 6/m c c	9.2101; 9.2101; 9.2179 90; 90; 120	677.16	Yakubivich, O. V.; Pekov, I. V.; Steele, I. M.; Massa, W.; Chukanov, N. V. Alkali metals in beryl and their role in the formation of derivative structural motifs: Comparative crystal chemistry of vorobyevite and pezzottaite Locality: Lipovka pegmatite field, Rezh District, Central Urals, Urals Region, Russia Note: T = 100 K Note: variety vorobyevite Note: Coordinates of O1 and O2 corrected by Yakubivich Crystallography Reports, 2009, 54, 399-412
9013982	CIF	Al2 Be2 Cs0.75 H6 Li Na0.226 O18.285 Si6	R -3 c :H	15.955; 15.955; 27.81 90; 90; 120	6130.91	Yakubivich, O. V.; Pekov, I. V.; Steele, I. M.; Massa, W.; Chukanov, N. V. Alkali metals in beryl and their role in the formation of derivative structural motifs: Comparative crystal chemistry of vorobyevite and pezzottaite Locality: Sakavalana granitic pegmatite, Antsirabe, Fianarantsoa Province, Madagascar Note: T = 100 K Crystallography Reports, 2009, 54, 399-412