Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 9015055 | CIF | Al3 H O13 Pb2 Si3 | P n m a | 16.4529; 5.6432; 10.3631 90; 90; 90 | 962.183 | Dorsam, G.; Liebscher, A.; Wunder, B.; Franz, G.; Gottschalk, M. Synthesis of Pb-zoisite and Pb-lawsonite Neues Jahrbuch fur Mineralogie, Abhandlungen, 2011, 188, 99-110 |
| 9015056 | CIF | C Fe O3 | R -3 c :H | 4.355; 4.355; 12.54 90; 90; 120 | 205.97 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P25, P = 54.0 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015059 | CIF | Fe O2 | P 1 | 10.821; 6.002; 10.514 90; 92.6; 90 | 682.157 | Fernandez-Martinez A; Timon, V.; Roman-Ross G; Cuello, G. J.; Daniels, J. E.; Ayora, C. The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate Note: Model 1, positions of sulfate groups not determined American Mineralogist, 2010, 95, 1312-1322 |
| 9015061 | CIF | Al6.79 B O18 Si3 | P n m a | 4.6995; 11.779; 20.1671 90; 90; 90 | 1116.36 | Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A. The crystal chemistry of As- and Sb-bearing dumortierite Sample: D67 The Canadian Mineralogist, 2012, 50, 855-872 |
| 9015062 | CIF | Al2 As2 H18 Mg O18 | P -1 | 5.4363; 10.5; 7.075 97.701; 110.295; 102.021 | 360.987 | Meisser, N.; Brugger, J.; Krivovichev, S.; Armbruster, T.; Favreau, G. Description and crystal structure of maghrebite, MgAl2(AsO4)2(OH)2*8H2O, from Aghbar, Anti-Atlas, Morocco: first arsenate in the laueite mineral group European Journal of Mineralogy, 2012, 24, 717-726 |
| 9015063 | CIF | Ag0.29 As1.73 Pb2.956 S18 Sb7.794 Tl1.23 | P -1 | 8.0929; 8.761; 22.497 90.868; 97.247; 90.793 | 1581.96 | Orlandi, P.; Biagioni, C.; Bonaccorsi, E.; Moelo, Y.; Paar, W. H. Lead-antimony sulfosalts from Tuscany (Italy). XII. Boscardinite, TiPb4(Sb7As2)S9S18, a new mineral species from the Monte Arsiccio mine: Occurrence and crystal structure Monte Arsiccio, near Sant'Anna di Stazzema, Apuan Alps, Tuscany, Italy The Canadian Mineralogist, 2012, 50, 235-251 |
| 9015065 | CIF | Fe2 O3 | R -3 c :H | 5.0249; 5.0249; 13.7163 90; 90; 120 | 299.932 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 15.4 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9015066 | CIF | C Ca O3 | R -3 c :H | 4.9769; 4.9769; 17.3479 90; 90; 120 | 372.131 | Antao, S. M.; Hassan, I. Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 556 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015067 | CIF | Al21.6 B9 Ca0.06 F2.1 Fe2.727 H17.57 Li2.223 Mn0.27 Na2.49 O90.9 Si18 Zn0.18 | R 3 m :H | 15.9083; 15.9083; 7.1229 90; 90; 120 | 1561.11 | Bosi, F.; Andreozzi, G. B.; Skogby, H.; Lussier, A. J.; Abdu, Y.; Hawthorne, F. C. Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species of the tourmaline supergroup Note: standard SREF American Mineralogist, 2013, 98, 297-303 |
| 9015068 | CIF | Cu2 S | P 1 21/c 1 | 15.246; 11.884; 13.494 90; 116.35; 90 | 2190.86 | Evans, H. T. Crystal structure of low chalcocite Nature Physical Science, 1971, 232, 69-70 |
| 9015070 | CIF | Ba Cu2 Ge2 O7 | P n m a | 7.04765; 13.407; 7.02755 90; 90; 90 | 664.018 | Yamada, T.; Hiroi, Z.; Takano, M. Spin-1/2 quantum antiferromagnetic chains with tunable superexchange interactions found in BaCu2(Si1-xGex)2O7 Journal of Solid State Chemistry, 2001, 156, 101-109 |
| 9015073 | CIF | C Ca O3 | R -3 c :H | 4.9759; 4.9759; 17.4486 90; 90; 120 | 374.14 | Antao, S. M.; Hassan, I. Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 681 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015074 | CIF | Mg Mn O4 Si | P n m a | 10.451; 6.12446; 4.80757 90; 90; 90 | 307.717 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9015075 | CIF | C Fe O3 | R -3 c :H | 4.548; 4.548; 13.89 90; 90; 120 | 248.813 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P9, P = 28.62 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015076 | CIF | Fe Se | P 63 m c | 3.636; 3.636; 5.946 90; 90; 120 | 68.077 | Franz, E. D. Rontgenographische Daten der Mischphasen im System Pyrit (FeS2) - Ferroselit (FeSe2)/Pyrrhotin (FeS) - Achavalit (FeSe) Neues Jahrbuch fur Mineralogie, Monatshefte, 1972, 1972, 276-280 |
| 9015077 | CIF | Al0.02 Ba3.92 Ca0.1 Fe0.17 Mg0.15 Mn0.38 Na2.16 Nb0.02 O26 P0.8 S1.02 Si4 Sr0.08 Ti2.96 | P 1 2/c 1 | 5.4206; 7.125; 29.314 90; 94.698; 90 | 1128.35 | Sokolova, E.; Camara, F.; Hawthorne, F. C. From structure topology to chemical composition. XI. Titanium silicates: crystal structures of innelite-1T and innelite-2M from the Inagli massif, Yakutia, Russia, and the crystal chemistry of innelite Note: this is the polytype innelite-2M Mineralogical Magazine, 2011, 75, 2495-2518 |
| 9015079 | CIF | Ba0.193 Cu O10 Si4 Sr0.807 | P 4/n c c :2 | 7.3752; 7.3752; 15.6902 90; 90; 90 | 853.446 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .193 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9015080 | CIF | Fe0.54 K Li Mn1.46 Na2 O24 Si8 Ti2 | C 1 2/c 1 | 16.41; 12.55; 10.03 90; 115.5; 90 | 1864.41 | Borisov, S. V.; Klevtsova, R. F.; Bakakin, V. V.; Belov, N. V. The crystal structure of neptunite Soviet Physics Crystallography, 1966, 10, 684-689 |
| 9015081 | CIF | C13 H10 | P n a m | 8.49; 5.721; 18.97 90; 90; 90 | 921.397 | Burns, D. M.; Iball, J. The crystal and molecular structure of fluorene Note: Positions of hydrogen atoms were not given Proceedings of the Royal Society of London A, 1955, 227, 200-214 |
| 9015083 | CIF | Mg W | P 1 2/c 1 | 4.68; 5.66; 4.92 90; 89.67; 90 | 130.323 | Broch, E. Untersuchungen ueber Kristallstrukturen des Wolframittypus und des Scheelittypus _cod_database_code 1010642 Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo, 1929, 1, 1-618 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 9015102 | CIF | Al6.63 B3 Ca0.29 H3.75 K0.02 Mg2.37 Na0.6 O31 Si6 | R 3 m :H | 15.923; 15.923; 7.201 90; 90; 120 | 1581.15 | Schmetzer, K.; Nuber, B.; Abraham, K. Zur Kristallchemie Magnesium-reicher Turmaline Neues Jahrbuch fur Mineralogie, Abhandlungen, 1979, 136, 93-112 |
| 9015104 | CIF | Fe5 Si3 | P 63/m c m | 6.7277; 6.7277; 4.695 90; 90; 120 | 184.035 | Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A. Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 3.6 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9015105 | CIF | Fe | F m -3 m | 3.498; 3.498; 3.498 90; 90; 90 | 42.802 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 21.57 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015106 | CIF | Fe6 H17 O27 P4 | C 1 2/c 1 | 20.953; 5.171; 19.266 90; 93.34; 90 | 2083.89 | Moore, P. B.; Kampf, A. R. Beraunite: Refinement, comparative crystal chemistry, and selected bond valences Zeitschrift fur Kristallographie, 1992, 201, 263-281 |
| 9015108 | CIF | Cl H12 | F m -3 m | 5.482; 5.482; 5.482 90; 90; 90 | 164.747 | Niimura, N.; Shimaoka, K.; Motegi, H.; Hoshino, S. Crystal structure and phase transition of hydrogen chloride Note: this phase is stable above 120 K Note: T = 135 K Journal of the Physical Society of Japan, 1972, 32, 1019-1026 |
| 9015109 | CIF | Al1.462 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.1706; 8.1706; 8.1706 90; 90; 90 | 545.459 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 15 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015110 | CIF | Fe3 Si | F m -3 m | 5.655; 5.655; 5.655 90; 90; 90 | 180.841 | Farquhar, M. C. M.; Lipson, H.; Weill, A. R. An X-ray study of iron-rich iron-silicon alloys Journal of the Iron and Steel Institute, 1945, 152, 457-472 |
| 9015111 | CIF | Cl Fe2 H3 O12 Te4 | P -1 | 5.1129; 6.6481; 9.0079 73.347; 78.053; 76.709 | 282.2 | Kampf, A. R.; Mills, S. J. The role of hydrogen in tellurites: crystal structure refinements of juabite, poughite and rodalquilarite Journal of Geosciences, 2011, 56, 235-247 |
| 9015113 | CIF | Al0.08 Ca0.96 F0.16 Fe6.55 H12.38 K0.14 Mg0.14 Mn0.35 Na0.12 Nb0.06 O34.64 Si7.92 Ti1.86 Zr0.04 | P -1 | 5.329; 11.803; 11.822 101.14; 98.224; 102.442 | 699.079 | Khomyakov, A. P.; Cámara F; Sokolova, E.; Abdu, Y.; Hawthorne, F. C. Sveinbergeite, Ca(Fe2+6Fe3+)Ti2(Si4O12)2O2(OH)5(H2O)4, a new astrophyllite-group mineral from the Larvik Plutonic Complex, Oslo Region, Norway: description and crystal structure Mineralogical Magazine, 2011, 75, 2687-2702 |
| 9015115 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.8332; 7.6082; 9.6342 90; 90.147; 90 | 354.267 | Rinaldi, R.; Gatta, G. D.; Angel, R. J. Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study American Mineralogist, 2010, 95, 1413-1421 |
| 9015116 | CIF | Ca3.7 Ce0.9 F3.5 Na2.4 O14.5 Si4 Ti | P 21 1 1 | 5.679; 7.412; 18.836 101.26; 90; 90 | 777.597 | Rastsvetaeva, R. K.; Borutskii, B. E.; Shlyukova, Z. V. Crystal structure of Hibbing rinkite Soviet Physics Crystallography, 1991, 36, 349-351 |
| 9015117 | CIF | O0.984 Y0.065 Zr0.935 | P 42/n m c | 3.6055; 3.6055; 5.1797 90; 90; 90 | 67.334 | Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Acta Crystallographica, Section B, 1988, 44, 116-120 |
| 9015118 | CIF | Al Fe3 H36 O42 S6 | P -3 1 c | 10.917; 10.917; 17.0829 90; 90; 120 | 1763.19 | Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I. Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals The Canadian Mineralogist, 2010, 48, 323-333 |
| 9015119 | CIF | N4 O14 P2 Te | P -1 | 11.51; 6.484; 6.329 118.15; 105.8; 84.36 | 400.48 | Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C. Structures de deux phosphotellurates. Te(OH)6((NH4)2HPO4)2 and Te(OH)6(Na2HPO4)(H2O) Acta Crystallographica, Section B, 1979, 35, 1444-1447 |
| 9015122 | CIF | Bi2 Pb3 S6 | B b m m | 13.535; 20.451; 4.104 90; 90; 90 | 1136.01 | Takagi, J.; Takeuchi, Y. The crystal structure of lillianite Acta Crystallographica, Section B, 1972, 28, 649-651 |
| 9015123 | CIF | Ir Sb3 | I m -3 | 9.2533; 9.2533; 9.2533 90; 90; 90 | 792.3 | Kjekshus, A.; Rakke, T. Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides, Acta Chemica Scandinavica A, 1974, 28, 99-103 |
| 9015124 | CIF | Ca1.784 Fe1.72 K0.1 Mg3.494 Na1.058 O24 Si8 | C 1 2/m 1 | 9.8165; 18.0126; 5.3002 90; 105.38; 90 | 903.623 | Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S. The effect of oxo-component on the high-pressure behavior of amphiboles Sample: FR12 P = 0.0001 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9015125 | CIF | O7 Si2 Sr V | A m a m | 7.06; 14.64; 5.33 90; 90; 90 | 550.9 | Takeuchi, Y.; Joswig, W. The structure of haradaite and a note on the Si-O bond lengths in silicates Mineralogical Journal, 1967, 5, 98-123 |
| 9015126 | CIF | Al2 Cu O4 | F d -3 m :2 | 8.0793; 8.0793; 8.0793 90; 90; 90 | 527.377 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl100h American Mineralogist, 2012, 97, 1821-1827 |
| 9015127 | CIF | Cu3 O8 V2 | P 1 21/c 1 | 6.2493; 7.9936; 6.3776 90; 111.49; 90 | 296.441 | Shannon, R. D.; Calvo, C. Crystal structure of a new form of Cu3V2O8 Canadian Journal of Chemistry, 1972, 50, 3944-3949 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 9015475 | CIF | Fe3 Si | F m -3 m | 5.662; 5.662; 5.662 90; 90; 90 | 181.514 | Buschow, K. H. J.; van Engen, P. G.; Jongebreur, R. Magneto-optical properties of metallic ferromagnetic materials Journal of Magnetism and Magnetic Materials, 1983, 38, 1-22 |
| 9015476 | CIF | Al2 Ca H4 O10 Si2 | P 1 21/m 1 | 5.197; 12.863; 5.681 90; 124.48; 90 | 313.053 | Pawley, A. R.; Allan, D. R. A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN90, P = 11.9 GPa Mineralogical Magazine, 2001, 65, 41-58 |
| 9015477 | CIF | Cu2 H2 O7 Pb Te | P 21 21 21 | 5.1943; 9.6198; 11.6746 90; 90; 90 | 583.358 | 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 |
| 9015480 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.5244; 11.5244; 11.5244 90; 90; 90 | 1530.58 | 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 = 922.9 K American Mineralogist, 2011, 96, 1593-1605 |
| 9015481 | CIF | C Ca O3 | R -3 c :H | 4.9766; 4.9766; 17.284 90; 90; 120 | 370.715 | 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 = 458 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015482 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7499; 4.7499; 9.2716 90; 90; 90 | 209.182 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim24_q1, treated at 700 C for 30 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9015485 | CIF | Bi13.604 Cu0.842 Fe0.45 Pb7.25 S28 | P m c n | 4.0307; 22.7011; 54.6145 90; 90; 90 | 4997.3 | Topa, D.; Makovicky, E. Eclarite: New data and interpretations The Canadian Mineralogist, 2012, 50, 371-386 |
| 9015486 | CIF | Al0.151 Fe0.174 H4 Mg2.745 O9 Si1.924 | P 3 1 m | 5.323; 5.323; 7.27 90; 90; 120 | 178.393 | 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: sample Sassomorello, polytype 1T The Canadian Mineralogist, 2011, 49, 1045-1054 |
| 9015490 | CIF | Al12 H44.92 K8 O94.46 Si24 Tl3.78 | 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 synchrotron radiation European Journal of Mineralogy, 1990, 2, 749-759 |
| 9015491 | CIF | Al1.686 Ca2 Cr0.824 H4 Mg0.49 O14 Si3 | A 1 2/m 1 | 8.807; 5.943; 19.18 90; 97.44; 90 | 995.43 | Nagashima, M.; Akasaka, M.; Ikeda, K.; Kyono, A.; Makino, K. X-ray single-crystal and optical spectroscopic study of chromian pumpellyite from Sarany, Urals, Russia Journal of Mineralogical and Petrological Sciences, 2010, 105, 187-193 |
| 9015493 | CIF | F0.45 Fe1.212 O4.55 P | I 41/a m d :2 | 5.184; 5.184; 13.04 90; 90; 90 | 350.435 | Loiseau, T.; Lacorre, P.; Calage, Y.; Greneche, J.; Ferey, G. Crystal structure and magnetic study of a new iron(III) phosphate, Fe1.21PO4X (X=F,OH,H2O), isostructural with 3MgSO4*Mg(OH)2*H2O _cod_database_code 1000351 Journal of Solid State Chemistry, 1993, 105, 417-427 |
| 9015494 | CIF | Cu3 H6 O11 V2 | C 1 2/m 1 | 10.6; 5.86; 7.21 90; 95.08; 90 | 446.097 | Kashaev, A. A.; Bakakin, V. V. Crystal structure of volborthite Cu3(OH)2V2O7*2H2O Doklady Akademii Nauk SSSR, 1968, 181, 967-969 |
| 9015496 | CIF | Ba6 Cl6.391 Mn2.01 O18 Si6 Ti0.99 | P 6/m m m | 16.3; 16.3; 7.169 90; 90; 120 | 1649.55 | Basciano, L. C. Mineralogy and crystal structures of barium silicate minerals from Fresno County, California Master's Thesis, University of British Columbia, 1999, 1999, 1-164 |
| 9015497 | CIF | Ag9 As6 Hg0.5 S12.14 Te1.86 | P -1 | 7.832; 8.606; 10.755 95.563; 95.88; 116.79 | 635.282 | Guastoni, A.; Bindi, L.; Nestola, F. Debattistiite, Ag9Hg0.5As6S12Te2, a new Te-bearing sulfosalt from Lengenbach quarry, Binn valley, Switzerland: description and crystal structure Mineralogical Magazine, 2012, 76, 743-750 |
| 9015499 | CIF | Ca0.91 H6 Na0.09 O18 Si6 Ti0.01 Y0.03 Zr0.96 | C 1 2 1 | 14.018; 14.133; 7.84 90; 109.4; 90 | 1465.04 | Kabalov, Y. K.; Zubkova, N. V.; Pushcharovsky, D. Y.; Schneider, J.; Sapozhnikov, A. N. Powder Rietveld refinement of armstrongite, CaZr[Si6O15]*3H2O Zeitschrift fur Kristallographie, 2000, 215, 757-761 |
| 9015501 | CIF | As2 Cu0.4 H8 O12 Zn2.6 | P -1 | 5.9756; 7.6002; 5.4471 84.2892; 90.492; 87.9958 | 245.988 | Hawthorne, F. C.; Cooper, M. A.; Abdu, Y. A.; Ball, N. A.; Back, M. E.; Tait, K. T. Davidlloydite, ideally Zn3(AsO4)2(H2O)4, a new arsenate mineral from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia: description and crystal structure Mineralogical Magazine, 2012, 76, 45-57 |
| 9015502 | CIF | Ba O9 Si3 Ti | P 3 1 c | 11.2984; 11.2984; 9.6051 90; 90; 120 | 1061.86 | 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 = 6.14 GPa American Mineralogist, 2012, 97, 1749-1763 |
| 9015503 | CIF | Fe2 O3 | R -3 c :H | 5.002; 5.002; 13.6202 90; 90; 120 | 295.122 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 52.4 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9015505 | CIF | Ba F10 O2 Zr2 | P n a m | 7.8974; 7.9076; 14.7227 90; 90; 90 | 919.425 | Gao, Y.; Guery, J.; Le Bail, A.; Jacoboni, C. Synthesis,X-ray single-crystal structure determination and dehydration study of BaZr2F10*2H2O by X-ray powder thermodiffractometry _cod_database_code 1000108 Journal of Solid State Chemistry, 1992, 98, 11-24 |
| 9015506 | CIF | La0.3 Nb2 O6 Sr0.7 | P n m a | 11.046; 7.653; 5.571 90; 90; 90 | 470.945 | 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 |
| 9015507 | CIF | Ca1.848 Fe2.041 H2 K0.684 Mg3.199 Na0.11 O24 Si8 | C 1 2/m 1 | 9.866; 18.054; 5.318 90; 105.22; 90 | 914.021 | 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 = 0.0001 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9015508 | CIF | As2.196 Hg0.804 Pd6 | P -6 2 m | 6.813; 6.813; 3.4892 90; 90; 120 | 140.26 | Bindi, L. Atheneite, [Pd2][As0.75Hg0.25], from Itabira, Minas Gerais, Brazil: Crystal structure and revision of the chemical formula The Canadian Mineralogist, 2010, 48, 1149-1155 |
| 9015509 | CIF | B9.002 Ba4.98 Ca9.01 Ce2.51 Dy0.28 F2 Fe0.42 Gd0.27 H44.1 La1.12 Nb5.28 Nd0.84 O122.69 P3.12 Pr0.27 Si4.66 Sm3.18 Sr0.96 Ti11.92 Y3.5 | R 3 :H | 9.1202; 9.1202; 102.145 90; 90; 120 | 7357.94 | Sokolova, E.; Hawthorne, F. C.; Pautov, L. A.; Agakhanov, A. A. Byzantievite, Ba5(Ca,REE,Y)22(Ti,Nb)18(SiO4)4[(PO4),(SiO4)]4(BO3)9O21[(OH),F]43(H2O)1.5: the crystal structure and crystal chemistry of the only known mineral with the oxyanions (BO3), (SiO4) and (PO4) Mineralogical Magazine, 2010, 74, 285-308 |
| 9015510 | CIF | C Ca O3 | P m c n | 4.9605; 7.9925; 5.7629 90; 90; 90 | 228.481 | 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 = 135 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015511 | CIF | Al1.882 Be2.856 Cu0.144 Fe0.118 H0.98 Li0.12 O18.49 Si6 | P 6/m c c | 9.2489; 9.2489; 9.2211 90; 90; 120 | 683.115 | Adamo, I.; Gatta, G. D.; Rotiroti, N.; Diella, V.; Pavese, A. Gemmological investigation of a synthetic blue beryl: a multi-methodological study Note: Sample: M2-2 Mineralogical Magazine, 2008, 72, 799-808 |
| 9015513 | CIF | Co Sb3 | I m -3 | 9.0347; 9.0347; 9.0347 90; 90; 90 | 737.465 | 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 |
| 9015514 | CIF | Al2 Co0.34 Mg0.66 O4 | F d -3 m :2 | 8.0902; 8.0902; 8.0902 90; 90; 90 | 529.514 | 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: CoAl20 American Mineralogist, 2012, 97, 1834-1840 |
| 9015515 | CIF | Al H O12 Pb2 Si4 | I 1 2/m 1 | 7.8356; 13.9132; 10.2775 90; 92.925; 90 | 1118.98 | Yang, H.; Downs, R. T.; Evans, S. H.; Jenkins, R. A.; Bloch, E. M. Rongibbsite, Pb2(Si4Al)O11(OH), a new zeolitic aluminosilicate mineral with an interrupted framework from Maricopa County, Arizona, U.S.A. American Mineralogist, 2013, 98, 236-241 |
| 9015519 | CIF | Fe Si2 | P 4/m m m | 2.725; 2.725; 5.202 90; 90; 90 | 38.628 | Li, G.; Shi, N.; Xiong, M.; Ma, Z.; Bai, W.; Fang, Q. X-ray diffraction investigation of native Si-Fe alloy minerals from Luobusha, Tibet Frontiers of Earth Science in China, 2007, 1, 21-25 |
| 9015520 | CIF | Ca17 N34 O122.96 | P 63/m | 13.226; 13.226; 32.37 90; 90; 120 | 4903.77 | Leclaire, A. Structure cristalline d'un nouvel hydrate du nitrate de calcium Ca(NO3)2(H2O)1.235 Acta Crystallographica, Section B, 1976, 32, 1950-1953 |
| 9015524 | CIF | O4 Pb S | P b n m | 6.95802; 8.48024; 5.39754 90; 90; 90 | 318.486 | 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 |
| 9015525 | CIF | Al2 Ca0.64 H4 O10 Si2 Sr0.36 | P 1 21/m 1 | 5.3427; 13.2039; 5.8448 90; 124.1; 90 | 341.424 | 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 #AU86 American Mineralogist, 2010, 95, 724-735 |
| 9015528 | CIF | As0.1 Cu0.9 | P 63/m m c | 2.59; 2.59; 4.24 90; 90; 120 | 24.632 | Schubert, K.; Breimer, H.; Burkhardt, W.; Gunzel, E.; Haufler, R.; Lukas, H. L.; Vetter, H.; Wegst, J.; Wilkens, M. Einige strukturelle Ergebnisse an metallischen Phasen II Naturwissenschaften, 1957, 44, 229-230 |
| 9015529 | CIF | Fe | F m -3 m | 3.531; 3.531; 3.531 90; 90; 90 | 44.024 | 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 = 13.36 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015532 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7551; 4.7551; 9.2818 90; 90; 90 | 209.871 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim23_q0, untreated Mineralogical Magazine, 2006, 70, 319-328 |
| 9015533 | CIF | Pt Sb2 | P a -3 | 6.44; 6.44; 6.44 90; 90; 90 | 267.09 | 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 |
| 9015534 | CIF | C Fe O3 | R -3 c :H | 4.694; 4.694; 15.43 90; 90; 120 | 294.43 | 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 P0, P = 0.02 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015535 | CIF | Al7.296 B3 Ca0.645 F0.714 Fe0.009 H3.286 Li1.557 Mn0.03 Na0.282 O30.286 Pb0.009 Si6 Ti0.006 | R 3 m :H | 15.8337; 15.8337; 7.1023 90; 90; 120 | 1542.04 | 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: L17, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015536 | CIF | Al K0.984 O4 Si | P 3 1 c | 5.1531; 5.1531; 8.7523 90; 90; 120 | 201.275 | 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 = 100 K American Mineralogist, 2010, 95, 1027-1034 |
| 9015537 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.322; 12.322; 4.905 90; 90; 120 | 644.959 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 5.00 GPa American Mineralogist, 2012, 97, 872-882 |
| 9015539 | CIF | Al1.457 Fe0.544 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 = 765 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015541 | CIF | Fe0.925 H0.39 K Mg2.075 O12 Si4 | C 1 2/m 1 | 5.3237; 9.2149; 10.1597 90; 99.97; 90 | 490.881 | Scordari, F.; Schingaro, E.; Ventruti, G.; Lacalamita, M.; Ottolini, L. Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content appraisal by a multi-methodic approach Note: Sample LC7_R4 Physics and Chemistry of Minerals, 2008, 35, 163-174 |
| 9015545 | CIF | H2 O2 Zn | P 21 21 21 | 4.905; 5.143; 8.473 90; 90; 90 | 213.743 | 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: X-ray single-crystal Zeitschrift fur Anorganische und Allgemeine Chemie, 1998, 624, 1130-1136 |
| 9015549 | CIF | As2 S3 | P -1 | 5.7577; 8.7169; 10.2682 78.152; 75.817; 89.861 | 488.377 | Kampf, A. R.; Downs, R. T.; Housley, R. M.; Jenkins, R. A.; Hyrsl, J. Anorpiment, As2S3, the triclinic dimorph of orpiment Mineralogical Magazine, 2011, 75, 2857-2867 |
| 9015550 | CIF | La0.741 Nb1.778 O6 Ti0.222 | C m m m | 7.80411; 7.82272; 7.9231 90; 90; 90 | 483.7 | Golobic, A.; Skapin, S. D.; Suvorov, D.; Meden, A. Solving Structural Problems of Ceramic Materials Croatica Chemica Acta, 2004, 77, 435-446 |
| 9015551 | CIF | Al2 Cu0.06 Mg0.94 O4 | F d -3 m :2 | 8.0858; 8.0858; 8.0858 90; 90; 90 | 528.651 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl15a2 American Mineralogist, 2012, 97, 1821-1827 |
| 9015552 | CIF | Ba Co2 O7 Si2 | C 1 2/c 1 | 7.2131; 12.781; 13.762 90; 90.299; 90 | 1268.71 | Adams, R. D.; Layland, R.; Payen, C.; Datta, T. Synthesis, structural analyses, and unusual magnetic properties of Ba2CoSi2O7 and BaCo2Si2O7 Note: Compound 2 Inorganic Chemistry, 1996, 35, 3492-3497 |
| 9015553 | CIF | C0.437 H1.998 Al2.67 K0.15 Na3.43 O14.31 Si3.33 | P 63 | 12.683; 12.683; 5.19 90; 90; 120 | 723.006 | 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# Kovd15/1 The Canadian Mineralogist, 2012, 49, 1129-1150 |
| 9015554 | CIF | C4 H0.03 Ba Ca0.39 Ce0.66 F0.89 La0.78 Na0.61 Nd0.08 O12.03 Pr0.02 Sr0.44 | P 63/m m c | 5.1182; 5.1182; 23.1785 90; 90; 120 | 525.836 | Mills, S. J.; Kartashov, P. M.; Kampf, A. R.; Konev, A. A.; Koneva, A. A.; Raudsepp, M. Cordylite-(La), a new mineral species in fenite from the Biraya Fe-REE deposit, Irkutsk, Russia Note: crystal 1 The Canadian Mineralogist, 2012, 50, 1281-1290 |
| 9015555 | CIF | C Fe O3 | R -3 c :H | 4.367; 4.367; 12.78 90; 90; 120 | 211.071 | 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 P19, P = 46.4 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015556 | CIF | Cu H4 O5 Se | P 1 21/n 1 | 8.177; 8.611; 6.29 90; 97.27; 90 | 439.332 | Lo, K.; Chen, Z.; Ma, Z. The crystal structure of clinochalcomenite Note: reported coordinates do not produce the reported bond lengths Kexue Tongbao, 1984, 29, 352-355 |
| 9015560 | CIF | C2.7 Ca0.1 Ce0.94 F1.6 La0.8 Na Nd0.1 O8.1 Pr0.04 Sm0.02 | P -6 m 2 | 5.1109; 5.1109; 8.6713 90; 90; 120 | 196.16 | 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 |
| 9015561 | CIF | C Ca O3 | P m c n | 4.9721; 8.0344; 5.8183 90; 90; 90 | 232.429 | 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 |
| 9015563 | CIF | P2 Pt | P a -3 | 5.6956; 5.6956; 5.6956 90; 90; 90 | 184.764 | 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 |
| 9015565 | CIF | Ag2 Bi4 Pb Se8 | P 1 21/m 1 | 13.203; 4.186; 15.28 90; 109.164; 90 | 797.692 | Sejkora, J.; Makovicky, E.; Topa, D.; Putz, H.; Zagler, G.; Pasil, J. Litochlebite, Ag2PbBi4Se8, a new selenide mineral species from Zalesi, Czech Republic: description and crystal structure The Canadian Mineralogist, 2011, 49, 639-650 |
| 9015566 | CIF | Pt Sb1.347 Sn1.821 | I m -3 | 9.3887; 9.3887; 9.3887 90; 90; 90 | 827.592 | Liang, Y.; Borrmann, H.; Baenitz, M.; Schnelle, W.; Budnyk, S.; Zhao, J. T.; Grin, Y. SnxPt4SnySb12-y: A skutterudite with covalently bonded filler Inorganic Chemistry, 2008, 47, 9489-9496 |
| 9015567 | CIF | B4 H20 Na2 O17 | C 1 2/c 1 | 11.858; 10.674; 12.197 90; 106.68; 90 | 1478.84 | Morimoto, N. The crystal structure of borax Mineralogical Journal, 1956, 2, 1-18 |
| 9015568 | CIF | Cu O | C 1 2/c 1 | 4.6797; 3.4768; 5.1193 90; 98.644; 90 | 82.347 | 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 = 30 min Journal of Solid State Chemistry, 1996, 122, 273-280 |
| 9015569 | CIF | O3 V2 | R -3 c :H | 4.9521; 4.9521; 14.0024 90; 90; 120 | 297.38 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 0.001 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9015570 | CIF | O5 Pb2 Te | I 1 2/a 1 | 7.5353; 5.7142; 10.8981 90; 91.33; 90 | 469.126 | Kampf, A. R.; Housley, R. M.; Mills, S. J.; Marty, J.; Thorne, B. Lead-tellurium oxysalts from Otto Mountain near Baker, California: I. Ottoite, Pb2TeO5, a new mineral with chains of tellurate octahedra American Mineralogist, 2010, 95, 1329-1336 |
| 9015571 | CIF | Al2 H4 Mg2 O9 Si | R 3 :H | 5.31; 5.31; 42.1 90; 90; 120 | 1028.02 | Steadman, R.; Nuttall, P. M. The crystal structure of amesite Note: polytype 6R Acta Crystallographica, 1962, 15, 510-511 |
| 9015573 | CIF | La Nb O6 Ti | C 1 2/c 1 | 11.2041; 8.85114; 5.2718 90; 115.328; 90 | 472.544 | Golobic, A.; Skapin, S. D.; Suvorov, D.; Meden, A. Solving Structural Problems of Ceramic Materials Croatica Chemica Acta, 2004, 77, 435-446 |
| 9015574 | CIF | Br0.18 Cl4.82 K0.04 Pb2 Tl0.96 | P 1 21/c 1 | 9.0026; 7.9723; 12.5693 90; 90.046; 90 | 902.116 | 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 |
| 9015575 | CIF | Cl Cu2 H3 O3 | P 1 21/n 1 | 6.1637; 6.8166; 9.114 90; 99.6515; 90 | 377.509 | Zheng, X. G.; Kawae, T.; Kashitani, Y.; Li, C. S.; Tateiwa, N.; Takeda, K.; Yamada, H.; Xu, C. N.; Ren, Y. Unconventional magnetic transitions in the mineral clinoatacamite Physical Review B, 2005, 71, 052409-052404 |
| 9015577 | CIF | Al1.461 Fe0.538 Mg1.001 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 550 C Annealing time = 60 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015578 | CIF | Ca0.33 Fe2 H7 Na0.67 O12 P2 | P -1 | 6.317; 7.698; 9.768 105.53; 99.24; 90.09 | 451.224 | Mills, S. J.; Birch, W. D.; Kampf, A. R.; Christy, A. G.; Pluth, J. J.; Pring, A.; Raudsepp, M.; Chen, Y. S. Kapundaite, (Na,Ca)2Fe3+4(PO4)4(OH)3*5H2O, a new phosphate species from Toms quarry, South Australia: Description and structural relationship to melonjosephite American Mineralogist, 2010, 95, 754-760 |
| 9015580 | CIF | Al0.209 Fe0.105 H4 Mg2.787 O9 Si1.896 | P 3 1 m | 5.3234; 5.3234; 7.2721 90; 90; 120 | 178.471 | 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 3, polytype 1T The Canadian Mineralogist, 2011, 49, 1045-1054 |
| 9015581 | CIF | Ni0.106 Ti0.942 | P m -3 m | 3.0191; 3.0191; 3.0191 90; 90; 90 | 27.519 | 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 |
| 9015582 | CIF | As18 Bi6 Co0.24 Fe14 H176 Mg10.76 O174 | P 1 21/n 1 | 13.6322; 30.469; 18.4671 90; 91.134; 90 | 7668.98 | Brugger, J.; Meisser, N.; Krivovichev, S.; Armbruster, T.; Favreau, G. Mineralogy and crystal structure of bouazzerite from Bou Azzer, Anti-Atlas, Morocco: Bi-As-Fe nanoclusters containing Fe3+ in trigonal prismatic coordination American Mineralogist, 2007, 92, 1630-1639 |
| 9015584 | CIF | Ca O8 Ti Zr2.5 | I 41/a c d :2 | 15.207; 15.207; 10.114 90; 90; 90 | 2338.89 | Callegari, A.; Mazzi, F.; Ungaretti, P. The crystal structure of orthorhombic calzirtite from Val Malenco (Italy) Note: crystal n.2 Neues Jahrbuch fur Mineralogie, Monatshefte, 1997, 1997, 467-480 |
| 9015585 | CIF | Al2 Ca0.979 H4 O10 Si2 Sr0.021 | C m c m | 5.8419; 8.794; 13.1393 90; 90; 90 | 675.014 | 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 #AU79 American Mineralogist, 2010, 95, 724-735 |
| 9015587 | CIF | Al7.173 B3 Ca0.517 F0.588 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, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015588 | CIF | Cu5 H14 O18 S2 | P -1 | 6.064; 11.012; 5.49 102.68; 92.43; 92.06 | 356.956 | Strandberg, H.; Langer, V.; Johansson, L. G. Structure of Cu2.5(OH)3SO4*2H2O: a novel corrosion product of copper Acta Chemica Scandinavica, 1995, 49, 5-10 |
| 9015589 | CIF | Al2 Co0.48 Mg0.52 O4 | F d -3 m :2 | 8.0914; 8.0914; 8.0914 90; 90; 90 | 529.75 | 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: CoAl34 American Mineralogist, 2012, 97, 1834-1840 |
| 9015591 | CIF | Li Nb3 O8 | P 1 21/a 1 | 15.262; 5.033; 7.457 90; 107.34; 90 | 546.767 | Lundberg, M. The crystal structure of LiNb3O8 Note: isostructural with lithiotantite Acta Chemica Scandinavica, 1971, 25, 3337-3346 |
| 9015592 | CIF | Al0.1 Ca0.28 Ce0.02 Fe0.1 H6 Nb0.8 Nd0.02 O14 Si0.26 Ta0.52 Ti0.22 U1.44 | C m c m | 14.15; 10.395; 7.529 90; 90; 90 | 1107.44 | Atencio, D.; Roberts, A. C.; Cooper, M. A.; Menezes, L. A. D.; Coutinho, J. M. V.; Stirling, J. A. R.; Venance, K. E.; Ball, N. A.; Moffatt, E.; Chaves, M. L. S. C.; Brandao, P. R. G.; Romano, A. W. Carlosbarbosaite, ideally (UO2)2Nb2O6(OH)2*2H2O, a new hydrated uranyl niobate mineral with tunnels from Jaguaracu, Minas Gerais, Brazil: description and crystal structure Mineralogical Magazine, 2012, 76, 75-90 |
| 9015593 | CIF | C Ca O3 | P m c n | 4.9693; 8.0234; 5.8037 90; 90; 90 | 231.397 | 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 |
| 9015594 | CIF | Al6.772 Ca6 Cl0.624 Fe0.228 O16.748 | I -4 3 d | 12.032; 12.032; 12.032 90; 90; 90 | 1741.86 | Galuskin, E. V.; Kusz, J.; Armbruster, T.; Bailau, R.; Galuskina, I. O.; Ternes, B.; Murashko, M. A reinvestigation of mayenite from the type locality, the Ettringer Bellerberg volcano near Mayen, Eifel district, Germany Mineralogical Magazine, 2012, 76, 707-716 |
| 9015595 | CIF | H10 Mg Na2 O13 S2 | P 1 21/c 1 | 5.7594; 23.914; 8.025 90; 95.288; 90 | 1100.58 | Mills, S. J.; Wilson, S. A.; Dipple, G. M.; Raudsepp, M. The decomposition of konyaite: importance in CO2 fixation in mine tailings Mineralogical Magazine, 2010, 74, 903-917 |
| 9015596 | CIF | Cl F Na6 O8 S2 | F m -3 m | 10.071; 10.071; 10.071 90; 90; 90 | 1021.45 | Sakamoto, Y. The size, atomic charges, and motion of the sulfate radical of symmetry -43m in the crystal of sulfohalite, Na6ClF(SO4)2 Journal of Science of the Hiroshima University, Series A-II: Physics and Chemistry, 1968, 32, 101-108 |
| 9015597 | CIF | Al4 B10.68 Be5.32 Cs0.34 K0.34 O28 Rb0.17 | P -4 3 m | 7.3098; 7.3098; 7.3098 90; 90; 90 | 390.586 | Gatta, G. D.; Vignola, P.; McIntyre, G. J.; Diella, V. On the crystal chemistry of londonite [(Cs,K,Rb)Al4Be5B11O28]: a single-crystal neutron diffraction study at 300 and 20 K Note: neutron diffraction study at T = 300 K American Mineralogist, 2010, 95, 1467-1472 |
| 9015598 | CIF | Bi H3 Mo2.102 O9 | P 1 21/n 1 | 5.8505; 9.0421; 13.9173 90; 100.42; 90 | 724.095 | Orlandi, P.; Demartin, F.; Pasero, M.; Leverett, P.; Williams, P. A.; Hibbs, D. E. Gelosaite, BiMo6+(2-5x)Mo5+6xO7(OH)*H2O (0<=x<=0.4), a new mineral from Su Senargiu (CA), Sardinia, Italy, and a second occurrence from Kingsgate, New England, Australia American Mineralogist, 2011, 96, 268-273 |
| 9015599 | CIF | Al5.47 B3 Ca0.35 F0.44 Fe1.1 H3.21 Li0.039 Mg2.35 Na0.55 O30.56 Si5.98 Ti0.05 | R 3 m :H | 15.981; 15.981; 7.21 90; 90; 120 | 1594.68 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Dravite 32008 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9015600 | CIF | C Ca0.147 O3 Sr0.853 | P m c n | 5.0914; 8.3519; 5.9901 90; 90; 90 | 254.716 | 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 |
| 9015601 | CIF | Cl2 Cu H2 O4 Pb3 | P 1 21/m 1 | 6.6972; 5.7538; 10.4686 90; 97.747; 90 | 399.719 | Siidra, O. I.; Krivovichev, S. V.; Turner, R. W.; Rumsey, M. S. Chloroxiphite Pb3CuO2(OH)2Cl2: structure refinement and description in terms of oxocentred OPb4 tetrahedra Mineralogical Magazine, 2008, 72, 793-798 |
| 9015602 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7509; 4.7509; 9.2812 90; 90; 90 | 209.486 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q4, treated at 600 C for 200 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9015603 | CIF | Al7.296 B3 Ca0.645 F0.714 Fe0.009 H3.285 Li1.557 Mn0.03 Na0.282 O30.285 Pb0.009 Si6 Ti0.006 | R 3 m :H | 15.8337; 15.8337; 7.1023 90; 90; 120 | 1542.04 | 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: L17, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015604 | CIF | C Fe O3 | R -3 c :H | 4.523; 4.523; 13.4 90; 90; 120 | 237.404 | 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 P13-1, P = 39.05 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015605 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7533; 4.7533; 9.2876 90; 90; 90 | 209.843 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim1_q0, untreated Mineralogical Magazine, 2006, 70, 319-328 |
| 9015606 | CIF | C Fe O3 | R -3 c :H | 4.355; 4.355; 12.59 90; 90; 120 | 206.791 | 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 P23, P = 51.9 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015607 | CIF | La0.67 Nb2 O6 | P m m m | 3.9105; 3.9197; 7.9142 90; 90; 90 | 121.309 | 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 = 0 Inorganic Materials, 2004, 40, 1324-1330 |
| 9015610 | CIF | Mg1.9 O4 Si0.99 | F d -3 m :2 | 8.0816; 8.0816; 8.0816 90; 90; 90 | 527.828 | 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 = 303 K American Mineralogist, 2012, 97, 573-582 |
| 9015611 | CIF | Fe0.183 Li0.91 Mn0.8 O4 P | P b n m | 4.736; 10.432; 6.088 90; 90; 90 | 300.783 | Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F. A structural study of the lithiophilite-sicklerite series Sample 1, colorless The Canadian Mineralogist, 2012, 50, 843-854 |
| 9015613 | CIF | Al96 Ca29.2 Cl2 H20 K14.78 Na79.84 O460 S31 Si102 | P -3 | 12.8742; 12.8742; 87.215 90; 90; 120 | 12518.8 | Camara, F.; Bellatreccia, F.; Della Ventura, G.; Mottana, A.; Bindi, L.; Gunter, M. E.; Sebastiani, M. Fantappieite, a new mineral of the cancrinite-sodalite group with a 33-layer stacking sequence: Occurrence and crystal structure American Mineralogist, 2010, 95, 472-480 |
| 9015614 | CIF | Fe0.999 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7497; 4.7497; 9.253 90; 90; 90 | 208.744 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim9_q2, treated at 750 C for 120 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9015615 | CIF | Bi2 Pb3 S6 | B b m m | 13.28; 20.26; 4.0448 90; 90; 90 | 1088.27 | 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 = 2.90 GPa Note: occupancies not refined Inorganic Chemistry, 2008, 47, 6756-6762 |
| 9015616 | CIF | Ba O3 Ti | R 3 m :R | 4.0035; 4.0035; 4.0035 89.843; 89.843; 89.843 | 64.167 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 40 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9015620 | CIF | Al2 O4 Zn | F d -3 m :2 | 8.08514; 8.08514; 8.08514 90; 90; 90 | 528.521 | Ardit, M.; Cruciani, G.; Dondi, M. Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.000, Co content = 0.00 apfu American Mineralogist, 2012, 97, 1394-1401 |
| 9015621 | CIF | B7 Cl Fe3 O13 | R 3 c :H | 8.6231; 8.6231; 21.0503 90; 90; 120 | 1355.55 | Mendoza-Alvarez M E; Yvon, K.; Depmeier, W.; Schmid, H. Structure refinement of trigonal iron-chlorine boracite Acta Crystallographica, Section C, 1985, 41, 1551-1552 |
| 9015622 | CIF | Ca5 H18 O32 Si9 | P -1 | 9.69; 7.28; 22.02 92.7; 100.1; 110.9 | 1418.48 | Merlino, S. Okenite, Ca10Si18O46*18H2O: the first example of a chain and sheet silicate American Mineralogist, 1983, 68, 614-622 |
| 9015623 | CIF | Al3 K O12 Si3 | C 1 2/c 1 | 5.189; 8.995; 20.09698 90; 95.18; 90 | 934.197 | Gatineau, L. Localisation des remplacements isomorphiques dans la muscovite Note: polytype Muscovite 2M1 _cod_database_code 1000042 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1963, 256, 4648-4649 |
| 9015624 | CIF | Al2.916 H6.117 K0.876 Na0.071 O14.039 S2 | R -3 m :H | 6.9806; 6.9806; 17.425 90; 90; 120 | 735.341 | 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 = 200 C Mineralogical Magazine, 2012, 76, 613-623 |
| 9015625 | CIF | Bi6.188 Cd0.812 In0.208 Pb3.792 S13.539 Se0.461 | P 1 21/m 1 | 15.4172; 4.0582; 20.8071 90; 98.031; 90 | 1289.05 | Borisov, S. V.; Pervukhina, N. V.; Magarill, S. A.; Kuratieva, N. V.; Bryzgalov, I. A.; Mozgova, N. N.; Chaplygin, I. V. The crystal structure of (Cd,In)-rich cannizzarite from Kudriavy Volcano, Iturup Island, Kuriles, Russia The Canadian Mineralogist, 2012, 50, 387-395 |
| 9015626 | CIF | Al2 Co0.07 Mg0.93 O4 | F d -3 m :2 | 8.0851; 8.0851; 8.0851 90; 90; 90 | 528.514 | 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: CoAl0.5 American Mineralogist, 2012, 97, 1834-1840 |
| 9015629 | CIF | Be H2 O2 | P 21 21 21 | 4.53; 4.621; 7.048 90; 90; 90 | 147.537 | 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: X-ray single-crystal Zeitschrift fur Anorganische und Allgemeine Chemie, 1998, 624, 1130-1136 |
| 9015631 | CIF | Ag1.041 Mn0.919 Pb3 S12 Sb5.041 | P 1 21/n 1 | 19.3462; 12.7251; 8.7472 90; 90.017; 90 | 2153.41 | Yang, H.; Downs, R. T.; Evans, S. H.; Feinglos, M. N.; Tait, K. T. Crystal structure of uchucchacuaite, AgMnPb3Sb5S12, and its relationship with ramdohrite and fizelyite Note: Sample ID R070760 American Mineralogist, 2011, 96, 1186-1189 |
| 9015634 | CIF | Al4 F4 H4 K0.65 Li0.672 Mn1.35 O16 Si4 | C c c a :2 | 13.715; 20.302; 5.138 90; 90; 90 | 1430.64 | Ghose, S.; Sen Gupta, P. K.; Boggs, R. C.; Schlemper, E. O. Crystal chemistry of a nonstoichiometric carpholite, Kx(Mn2-x,Lix)Al4Si4O12(OH)4F4: A chain silicate related to pyroxenes American Mineralogist, 1989, 74, 1084-1090 |
| 9015636 | CIF | Cu Fe S2 | I -4 2 d | 5.28563; 5.28563; 10.41917 90; 90; 90 | 291.09 | Knight, K. S.; Marshall, W. G.; Zochowski, S. W. The low-temperature and high-pressure thermoelastic and structural properties of chalcopyrite, CuFeS2 T = 4.2 K The Canadian Mineralogist, 2011, 49, 1015-1034 |
| 9015638 | CIF | B2 Mn | P 6/m m m | 3.007; 3.007; 3.037 90; 90; 120 | 23.782 | Aronsson, B. A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2 Acta Chemica Scandinavica, 1960, 14, 1414-1418 |
| 9015640 | CIF | Fe Mn O4 Si | P b n m | 4.86184; 10.58358; 6.1695 90; 90; 90 | 317.456 | 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 |
| 9015642 | CIF | As Cu3 S4 | P m n 21 | 7.4127; 6.4404; 6.1577 90; 90; 90 | 293.973 | Karanovic, L.; Cvetkovic, L.; Poleti, D.; Balic-Zunic T; Makovicky, E. Crystal and absolute structure of enargite from Bor (Serbia) Neues Jahrbuch fur Mineralogie, Monatshefte, 2002, 2002, 241-253 |
| 9015643 | CIF | Mg0.096 O1.904 Zr0.904 | 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 1, O atom not displaced Acta Crystallographica, Section B, 1988, 44, 116-120 |
| 9015646 | CIF | Al7.452 B3.336 Be0.012 Ca0.145 Fe1.203 H6.19 Li0.189 Mg0.087 Mn0.024 Na0.632 O31 Si5.526 Ti0.027 | R 3 m :H | 15.9013; 15.9013; 7.1213 90; 90; 120 | 1559.39 | 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: T5 American Mineralogist, 2004, 89, 447-454 |
| 9015647 | CIF | Al1.46 Fe0.539 Mg1.001 O4 | F d -3 m :2 | 8.1687; 8.1687; 8.1687 90; 90; 90 | 545.078 | 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 = 11,100 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015649 | CIF | C H Nd O4 | P n m a | 7.2333; 4.964; 8.4908 90; 90; 90 | 304.872 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9015650 | CIF | C Fe O3 | R -3 c :H | 4.539; 4.539; 13.8 90; 90; 120 | 246.224 | 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 P10, P = 30.6 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015651 | CIF | Ca O3 Sn | P b n m | 5.5142; 5.6634; 7.88162 90; 90; 90 | 246.136 | 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 = 0.0 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305 |
| 9015653 | CIF | Cr2 O3 | R -3 c :H | 4.8152; 4.8152; 13.242 90; 90; 120 | 265.897 | 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 = 24.1 GPa American Mineralogist, 2012, 97, 1764-1770 |
| 9015654 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.0271; 5.4473; 9.8119 90; 90; 90 | 856.622 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 7.766 GPa American Mineralogist, 2012, 97, 1165-1176 |
| 9015655 | CIF | Al1.9 Be3 Cr0.1 H2 O19 Si6 | P 6/m c c | 9.214; 9.214; 9.218 90; 90; 120 | 677.741 | 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: hydrous emerald Lithos, 1968, 1, 275-285 |
| 9015658 | 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 = 1 Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9015659 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.0539; 5.4609; 9.8437 90; 90; 90 | 862.985 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 6.511 GPa American Mineralogist, 2012, 97, 1165-1176 |
| 9015660 | CIF | H8 Mo O10 U | P 1 21/c 1 | 6.32; 7.5; 57.8 90; 94; 90 | 2733.05 | Makarov, E. S.; Anikina, L. I. Crystal structure of umohoite (UMoO6(H2O)2)*2H2O Geochemistry, 1963, 1, 14-21 |
| 9015661 | CIF | O24 P6 S Sr10 | P -3 | 9.8077; 9.8077; 7.2089 90; 90; 120 | 600.529 | 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 |
| 9015662 | CIF | O2 Ti | P 42/m n m | 4.5937; 4.5937; 2.9587 90; 90; 90 | 62.435 | Howard, C. J.; Sabine, T. M.; Dickson, F. Structural and thermal parameters for rutile and anatase Acta Crystallographica, Section B, 1991, 47, 462-468 |
| 9015664 | CIF | Al1.459 Fe0.537 Mg1.003 O4 | F d -3 m :2 | 8.1707; 8.1707; 8.1707 90; 90; 90 | 545.479 | 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 = 97,260 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015669 | CIF | Ca4.28 Ce0.9 F2.7 Na1.82 Nb0.05 O15.3 Si4 Ti0.86 Zr0.09 | P 1 21/c 1 | 7.421; 5.709; 19.019 90; 101.23; 90 | 790.34 | Bellezza, M.; Merlino, S.; Perchiazzi, N.; Raade, G. <<Johnstrupite>>: a chemical and structural study Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A, 2009, 114, 1-3 |
| 9015670 | CIF | Fe S4 Sb2 | P n a m | 11.1063; 13.6291; 3.7249 90; 90; 90 | 563.834 | 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 = 3.72 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
| 9015672 | CIF | Bi Mo2 O10 | P 1 21/m 1 | 5.7797; 11.567; 6.3344 90; 113.36; 90 | 388.767 | Orlandi, P.; Pasero, M.; Bigi, S. Sardignaite, a new mineral, the second known bismuth molybdate: description and crystal structure Mineralogy and Petrology, 2010, 100, 17-22 |
| 9015674 | CIF | Ba Na2 O14 Si4 Ti2 | I m a 2 | 10.4; 13.85; 8.1 90; 90; 90 | 1166.72 | Nikitin, A. V.; Belov, N. V. Crystal structure of batisite, Na2BaTi2Si4O14 = Na2BaTi2O2[Si4O12] Doklady Akademii Nauk SSSR, 1962, 146, 1401-1403 |
| 9015676 | CIF | As H O5 Zn2 | P -1 | 5.638; 5.827; 6.692 103.25; 104.37; 87.72 | 207.268 | Hawthorne, F. C. Paradamite Acta Crystallographica, Section B, 1979, 35, 720-722 |
| 9015677 | CIF | Ca0.32 Ce0.01 Dy0.03 Er0.03 F0.17 Fe0.01 Gd0.01 Ho0.01 Mn0.01 Na0.39 Nb0.02 Nd0.01 O4.83 Si Sn0.01 Ti0.94 Tm0.01 V0.01 Y0.15 Yb0.03 | C 1 2/c 1 | 6.5691; 8.6869; 7.0924 90; 114.127; 90 | 369.372 | Stepanov, A. V.; Bekenova, G. K.; Levin, V. L.; Hawthorne, F. C. Natrotitanite, ideally (Na0.5Y0.5)Ti(SiO4)O, a new mineral from the Verkhnee Espe deposit, Akjailyautas mountains, Eastern Kazakhstan district, Kazakhstan: description and crystal structure Mineralogical Magazine, 2012, 76, 37-44 |
| 9015678 | CIF | Al7.209 B3 Ca0.583 F0.647 Fe0.015 H3.353 Li1.491 Mg0.06 Mn0.033 Na0.345 O30.353 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, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015679 | CIF | H47.44 Mg Na4 O51.72 V10 | P -1 | 9.0453; 11.3337; 11.7372 105.223; 97.383; 100.79 | 1120.3 | Colombo, F.; Baggio, R.; Kampf, A. R. The crystal structure of the elusive huemulite The Canadian Mineralogist, 2011, 49, 849-864 |
| 9015680 | CIF | Al1.9 Be3 Cr0.1 O18 Si6 | P 6/m c c | 9.219; 9.219; 9.198 90; 90; 120 | 677.005 | 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 emerald Lithos, 1968, 1, 275-285 |
| 9015681 | CIF | Na1.86 Nb2 Nd0.05 O6 | P b c m | 5.5018; 5.5598; 15.551 90; 90; 90 | 475.688 | 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 = .62, Nd.05Na1.86Nb2O6 Inorganic Materials, 2004, 40, 1324-1330 |
| 9015683 | CIF | Cu0.93 H6 O15 P2 U2 | P 1 21 1 | 14.4979; 7.0159; 6.6312 90; 107.585; 90 | 642.978 | 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 6.9 Angstrom phase while heating at 173 C American Mineralogist, 2010, 95, 1132-1140 |
| 9015685 | CIF | C Fe O3 | R -3 c :H | 4.343; 4.343; 12.497 90; 90; 120 | 204.134 | 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 P26, P = 55.96 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015687 | CIF | Fe | F m -3 m | 3.494; 3.494; 3.494 90; 90; 90 | 42.655 | 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 = 22.44 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015689 | CIF | Ca H8 O15 Si4 V | P c m n | 9.7518; 13.6854; 9.5965 90; 90; 90 | 1280.72 | 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 = 100 K The Canadian Mineralogist, 2011, 49, 1267-1272 |
| 9015690 | CIF | Ca4.974 Cl0.06 F0.76 H0.18 Na0.026 O12.18 P2.844 S0.066 Si0.09 | P 63/m | 9.3687; 9.3687; 6.8739 90; 90; 120 | 522.507 | Baikie, T.; Schreyer, M. K.; Wong, C. L.; Pramana, S. S.; Klooster, W. T.; Ferraris, C.; McIntyre, G. J.; White, T. J. A multi-domain gem-grade Brazilian apatite Note: single-crystal X-ray at T = 100 K American Mineralogist, 2012, 97, 1574-1581 |
| 9015691 | CIF | C Ca O3 | R -3 c :H | 4.9771; 4.9771; 17.3369 90; 90; 120 | 371.925 | 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 = 540 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015692 | CIF | Cr2 O3 | R -3 c :H | 4.714; 4.714; 13.029 90; 90; 120 | 250.738 | 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 = 44.8 GPa American Mineralogist, 2012, 97, 1764-1770 |
| 9015694 | CIF | Mn O2 | P 42/m n m | 4.388; 4.388; 2.865 90; 90; 120 | 47.774 | Kondrashev, Y. D.; Zaslavskii, A. I. The structure of the modifications of manganese oxide Izvestiya Akademii Nauk SSSR, 1951, 15, 179-186 |
| 9015698 | CIF | Al6.5 Ca5 Mg0.75 O17 Si0.75 | P m m n :2 | 27.638; 10.799; 5.123 90; 90; 90 | 1529.03 | Hanic, F.; Handlovic, M.; Kapralik, I. The structure of a quaternary phase Ca20Al32-2vMgvSivO68 Acta Crystallographica, Section B, 1980, 36, 2863-2869 |
| 9015700 | CIF | Ca2 O16 Ti2 Zr5 | P b c a | 15.207; 15.207; 10.114 90; 90; 90 | 2338.89 | Callegari, A.; Mazzi, F.; Ungaretti, P. The crystal structure of orthorhombic calzirtite from Val Malenco (Italy) Note: crystal n.2 Neues Jahrbuch fur Mineralogie, Monatshefte, 1997, 1997, 467-480 |
| 9015702 | CIF | Cl Tl | P m -3 m | 3.901; 3.901; 3.901 90; 90; 90 | 59.365 | Roberts, A. C.; Venance, K. E.; Seward, T. M.; Grice, J. D.; Paar, W. H. Lafossaite, a new mineral from the La Fossa Crater, Vulcano, Italy The Mineralogical Record, 2006, 37, 165-168 |
| 9015703 | CIF | B10 Cl2 H2 O19 Pb4 | P n n 2 | 11.376; 11.505; 6.5568 90; 90; 90 | 858.16 | Brugger, J.; Meisser, N.; Ansermat, S.; Krivovichev, S. V.; Kahlenberg, V.; Belton, D.; Ryan, C. G. Leucostaurite, Pb2[B5O9]Cl*0.5H2O, from the Atacama Desert: The first Pb-dominant member of the hilgardite group, and micro-determination of boron minerals by PIGE American Mineralogist, 2012, 97, 1206-1212 |
| 9015705 | CIF | Al1.611 Fe0.388 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 = 11,100 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015706 | CIF | C0.39 Al0.3 Ca3 O25 S1.57 Si0.7 | P 63 | 11.1178; 11.1178; 10.5381 90; 90; 120 | 1128.06 | 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-3049, powder Mineralogical Magazine, 2012, 76, 1133-1152 |
| 9015709 | CIF | Al1.46 Fe0.539 Mg1.001 O4 | F d -3 m :2 | 8.1693; 8.1693; 8.1693 90; 90; 90 | 545.198 | 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 = 22,620 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015710 | CIF | Al2.08 Ca2 Fe0.39 H Mn0.53 O13 Si3 | P 1 21/m 1 | 8.8904; 5.6606; 10.176 90; 115.455; 90 | 462.393 | 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 21 American Mineralogist, 2010, 95, 1237-1246 |
| 9015711 | CIF | As S | P 1 21/n 1 | 9.3272; 13.566; 6.5903 90; 106.433; 90 | 799.826 | 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 = 0 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
| 9015712 | CIF | Al7.14 B3 Ca0.61 F0.633 Fe0.12 H3.336 Li1.614 Mg0.057 Mn0.06 Na0.322 O30.336 Pb0.007 Si6 Ti0.006 | R 3 m :H | 15.8438; 15.8438; 7.1043 90; 90; 120 | 1544.44 | 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: L25, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015713 | CIF | Cl2 Fe | R -3 m :H | 3.58; 3.58; 17.54 90; 90; 120 | 194.682 | Herpin, A.; Meriel, P. Etude par diffraction de neutrons a 4.2 K de la structure antiferromagnetique de Cl2Fe Note: T = 4.2 K Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1957, 245, 650-653 |
| 9015714 | CIF | Cu O | C 1 2/c 1 | 4.6791; 3.4805; 5.1183 90; 98.5981; 90 | 82.418 | 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 = 36 min Journal of Solid State Chemistry, 1996, 122, 273-280 |
| 9015715 | CIF | Ba O3 Ti | A m m 2 | 4.0094; 5.6214; 5.6386 90; 90; 90 | 127.085 | Xiao, C. J.; Jin, C. Q.; Wang, X. H. Crystal structure of dense nanocrystalline BaTiO3 ceramics Note: phase O (orthorhombic) Materials Chemistry and Physics, 2008, 111, 209-212 |
| 9015716 | CIF | Al1.461 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.1685; 8.1685; 8.1685 90; 90; 90 | 545.038 | 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 = 2460 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015717 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9541; 7.9494; 5.7186 90; 90; 90 | 225.211 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 184 K American Mineralogist, 2012, 97, 707-712 |
| 9015720 | CIF | Ca2 Fe2 O5 | P n m a | 5.3522; 14.5621; 5.5354 90; 90; 90 | 431.425 | 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 = 5.564 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9015721 | CIF | Cu3 H6 O11 V2 | I 1 a 1 | 10.646; 5.867; 14.432 90; 95.19; 90 | 897.728 | Kashaev, A. A.; Rozhdestvenskaya, I. V.; Bannova, I. I.; Sapozhnikov, A. N.; Glebova, O. D. Balance, uniformity, and asymmetry of the structure of volborthite Cu3(OH)2(V2O7)*2H2O Journal of Structural Chemistry, 2008, 49, 708-711 |
| 9015722 | CIF | Al Ca0.84 F2 Fe10.52 K0.83 Mg3.48 Na3.106 O48 P11.74 Pb0.17 Sr0.16 | C 1 2/c 1 | 16.459; 10.018; 24.597 90; 105.78; 90 | 3902.86 | Steele, I. M. Arrojadite: variations in space group and composition based on four new refinements Sample: arro135C General Meeting of the International Mineralogical Association, 2002, 18, MO2-117 |
| 9015723 | CIF | Hg I2 | P 42/n m c :2 | 4.36; 4.36; 12.337 90; 90; 90 | 234.521 | 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 = 100 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
| 9015724 | CIF | Fe0.5 Ni0.5 Sb3 | I m -3 | 9.0904; 9.0904; 9.0904 90; 90; 90 | 751.189 | 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 |
| 9015730 | CIF | Ag16 As4 Fe0.526 Hg0.474 S15 | C 1 2 1 | 26.011; 15.048; 15.513 90; 90.4; 90 | 6071.85 | Bindi, L.; Downs, R. T.; Spry, P. G.; Pinch, W. W.; Menchetti, S. A chemical and structural re-examination of fettelite samples from the type locality, Odenwald, southwest Germany Sample: R100124 Mineralogical Magazine, 2012, 76, 551-566 |
| 9015731 | CIF | Al0.55 Ca2 Fe1.45 O5 | I 2 m b | 5.303; 14.3778; 5.529 90; 90; 90 | 421.561 | 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 = 6.27 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9015732 | CIF | Al0.05 Ca2 Fe1.703 H Mg0.187 Mn0.06 O15 Si5 | P -1 | 7.458; 12.168; 6.675 86.12; 93.86; 112.27 | 558.71 | Armbruster, T. Cation distribution in Mg, Mn-bearing babingtonite from Arvigo, Val Calanca, Grisons, Switzerland Schweizerische Mineralogische und Petrographische Mitteilungen, 2000, 80, 279-284 |
| 9015733 | CIF | Ni Ti0.921 | P 1 1 21/m | 2.92617; 4.17272; 4.69631 90; 90; 97.4036 | 56.864 | 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 |
| 9015735 | CIF | C O6 Pb2 S2 | P n m a | 16.32; 8.7616; 4.5809 90; 90; 90 | 655.02 | 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-01 Mineralogical Magazine, 2011, 75, 2721-2732 |
| 9015736 | CIF | Os S2 | P a -3 | 5.64; 5.64; 5.64 90; 90; 90 | 179.406 | 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 |
| 9015737 | CIF | Ba0.492 Cu O10 Si4 Sr0.508 | P 4/n c c :2 | 7.38813; 7.38813; 15.8516 90; 90; 90 | 865.251 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .492 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9015747 | CIF | Fe2 H2 O17 P4 Pb3 | P 41 21 2 | 9.044; 9.044; 16.766 90; 90; 90 | 1371.36 | Mills, S. J.; Kolitsch, U.; Miyawaki, R.; Hatert, F.; Poirier, G.; Kampf, A. R.; Matsubara, S.; Tillmanns, E. Pb3Fe3+2(PO4)4(H2O), a new octahedral-tetrahedral framework structure with double-strand chains T = 220 C European Journal of Mineralogy, 2010, 22, 595-604 |
| 9015750 | CIF | Ba0.1 Ca Fe0.05 H12.11 K0.5 Mn0.05 Na1.6 Nb1.2 O32.87 Si8 Sr1.4 Ti2.8 Zn0.9 | C 1 m 1 | 14.491; 13.911; 7.822 90; 117.59; 90 | 1397.49 | Rozenberg, K. A.; Rastsvetaeva, R. K.; Pekov, I. V.; Chukanov, N. V. New Zn-rich representative of the labuntsovite group: crystal structure and microtwinning Note: x-coordinate of O15 was changed Doklady Chemistry, 2002, 383, 110-113 |
| 9015752 | CIF | Fe | F m -3 m | 3.509; 3.509; 3.509 90; 90; 90 | 43.207 | 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 = 19.70 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015753 | CIF | Al Ca Fe9.38 H2 K0.75 Li0.12 Mg0.5 Mn4 Na4.11 O50 P12 | C 1 2/c 1 | 16.526; 10.057; 24.73 90; 105.78; 90 | 3955.27 | Merlino, S.; Mellini, M.; Zanazzi, P. F. Structure of arrojadite, KNa4CaMn4Fe10Al(PO4)12(OH,F)2 Acta Crystallographica, Section B, 1981, 37, 1733-1736 |
| 9015755 | CIF | Ca5 Cl O10.5 Si3 | C m c m | 3.7617; 16.9385; 17.3196 90; 90; 90 | 1103.56 | Galuskin, E. V.; Galuskina, I. O.; Lazic, B.; Armbruster, T.; Zadov, A. E.; Krzykawski, T.; Banasik, K.; Gazeev, V. M.; Pertsev, N. N. Rusinovite, Ca10(Si2O7)3Cl2: a new skarn mineral from the Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia European Journal of Mineralogy, 2011, 23, 837-844 |
| 9015756 | CIF | Al2 Cu0.78 Mg0.22 O4 | F d -3 m :2 | 8.0841; 8.0841; 8.0841 90; 90; 90 | 528.318 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl95b American Mineralogist, 2012, 97, 1821-1827 |
| 9015758 | CIF | Al7.272 B3 Ca0.614 F0.633 Fe0.156 H3.366 Li1.482 Mg0.018 Mn0.057 Na0.311 O30.366 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, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015759 | CIF | Al1.61 Fe0.39 Mg O4 | F d -3 m :2 | 8.146; 8.146; 8.146 90; 90; 90 | 540.547 | 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 = 93 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015761 | CIF | C Ca O3 | R -3 c :H | 4.9764; 4.9764; 17.3886 90; 90; 120 | 372.929 | 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 = 620 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015762 | CIF | Ba9.5 Ca3.5 Cl4 H12 O36 Si8 Ti | P 4/m m m | 14; 14; 5.625 90; 90; 90 | 1102.5 | Malinovskii, Y. A.; Pobedimskaya, E. A.; Belov, N. V. Crystal structure of muirite Ba9(Ca,Ba)(Ca,Ti)4(OH)8[Si8O24](Cl,OH)8 Soviet Physics Doklady, 1975, 20, 163-164 |
| 9015763 | CIF | As Ni Rh | P 4/n m m :2 | 3.5498; 3.5498; 6.1573 90; 90; 90 | 77.589 | Vymazalova, A.; Laufek, F.; Drabek, M.; Stanley, C. J.; Baker, R. J.; Bermejo, R.; Garuti, G.; Thalhammer, O.; Proenza, J. A.; Longo, F. Zaccariniite, RhNiAs, a new platinum-group mineral from Loma Peguera, Dominican Republic The Canadian Mineralogist, 2012, 50, 1321-1329 |
| 9015764 | CIF | Ca O13.014 Si4 V | P n m a | 9.4746; 13.262; 9.605 90; 90; 90 | 1206.89 | Danisi, R. M.; Armbruster, T.; Lazic, B. In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 175 C American Mineralogist, 2012, 97, 1874-1880 |
| 9015765 | CIF | Fe5 Si3 | P 63/m c m | 6.6193; 6.6193; 4.621 90; 90; 120 | 175.344 | 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 = 18.7 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9015766 | CIF | As2 Eu Fe2 | I 4/m m m | 3.9062; 3.9062; 12.1247 90; 90; 90 | 185.004 | Tegel, M.; Rotter, M.; Weiss, V.; Schappacher, F. M.; Pottgen, R.; Johrendt, D. Structural and magnetic phase transitions in the ternary iron arsenides SrFe2As2 and EuFe2As2 Note: T = 297 K Journal of Physics: Condensed Matter, 2008, 20, 452201_1-452201_5 |
| 9015767 | CIF | Cl2 Fe | P -3 m 1 | 3.585; 3.585; 5.735 90; 90; 120 | 63.833 | Vettier, C.; Yelon, W. B. The structure of FeCl2 at high pressures Note: P = 5.97 kbar Journal of Physics and Chemistry of Solids, 1975, 36, 401-405 |
| 9015768 | CIF | Cl2 Cu H6 N2 | C m c m | 7.688; 10.645; 5.736 90; 90; 90 | 469.427 | Bojar, H. P.; Walter, F.; Baumgartner, J.; Farber, G. Ammineite, CuCl2(NH3)2, a new species containing an ammine complex: Mineral data and crystal structure Note: T = 100 K The Canadian Mineralogist, 2010, 48, 1359-1371 |
| 9015770 | 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: neutron data Physics and Chemistry of Minerals, 2012, 39, 577-588 |
| 9015771 | CIF | Ca O3 Sn | P b n m | 5.4824; 5.6384; 7.8387 90; 90; 90 | 242.31 | 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 = 2.61 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305 |
| 9015775 | CIF | Al2 Ca0.77 H4 O10 Si2 Sr0.23 | P 1 21/m 1 | 5.3025; 13.174; 5.8422 90; 123.72; 90 | 339.448 | 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 #AU83 American Mineralogist, 2010, 95, 724-735 |
| 9015777 | CIF | Al2 Ca O8 Si2 | P 63/m c m | 5.1175; 5.1175; 14.7716 90; 90; 120 | 335.022 | Dimitrijevic, R.; Dondur, V.; Kremenovic, A. Thermally induced phase transformations of Ca-exchanged LTA and FAU zeolite frameworks: Rietveld refinement of the hexagonal CaAl2Si2O8 diphyllosilicate structure Zeolites, 1996, 16, 294-300 |
| 9015778 | CIF | Cr2 O3 | R -3 c :H | 4.9128; 4.9128; 13.4689 90; 90; 120 | 281.528 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 56.8 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9015779 | CIF | Al1.98 Ca0.69 Cr0.02 Fe1.08 Mg1.23 O12 Si3 | I a -3 d | 11.5826; 11.5825; 11.5826 90; 90; 90 | 1553.87 | 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: uncorrected for pressure inside the diamond European Journal of Mineralogy, 2012, 24, 599-606 |
| 9015780 | CIF | Ba Cr2 O11 P | P -1 | 9.333; 7.779; 7.526 106.28; 105.37; 94.14 | 499.356 | Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Existence d'un nouvel anion condense: Cr2PO10. Structures cristallines de deux phosphochromates de baryum: BaHCr2PO10*H2O et BaHCr2PO10*3H2O Acta Crystallographica, Section B, 1977, 33, 1431-1435 |
| 9015782 | CIF | Al1.461 Fe0.537 Mg1.001 O4 | F d -3 m :2 | 8.1705; 8.1705; 8.1705 90; 90; 90 | 545.439 | 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 = 67,020 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015783 | CIF | Cl Fe H12 O10 S | P 1 21/c 1 | 10.6776; 6.9148; 14.1193 90; 111.407; 90 | 970.558 | Jingliang, Z.; Li, J.; Wei, D. The crystal structure of xitieshanite Kexue Tongbao, 1988, 33, 502-505 |
| 9015784 | CIF | Al7.14 B3.06 Ca0.02 F0.41 H6.39 K0.01 Li0.54 Mn1.341 Na0.67 O30.59 Si5.94 Ti0.039 | 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 standard tourmaline model American Mineralogist, 2012, 97, 989-994 |
| 9015786 | CIF | As2 Ca2 Cu H4 O10 | P 1 21/c 1 | 5.8618; 12.7854; 5.7025 90; 109.425; 90 | 403.049 | Yang, H.; Jenkins, R. A.; Downs, R. T.; Evans, S. H.; Tait, K. T. Rruffite, Ca2Cu(AsO4)2*2H2O, a new member of the roselite group, from Tierra Amarilla, Chile The Canadian Mineralogist, 2011, 49, 877-884 |
| 9015787 | CIF | Cr1.5 Cu S4 Sb0.5 | F d -3 m :2 | 9.993; 9.993; 9.993 90; 90; 90 | 997.901 | Warczewski, J.; Kusz, J.; Filimonov, D. S.; Kessler, Y. A.; Koroleva, L. I.; Mikheev, M. G.; Odintsov, A. G.; Aminov, T. G.; Busheva, E. V.; Shabunina, G. G. New antiferromagnetic semiconductor CuCr1.5Sb0.5S4 Journal of Magnetism and Magnetic Materials, 1997, 175, 299-303 |
| 9015789 | CIF | F2 Pb | F m -3 m | 5.9306; 5.9306; 5.9306 90; 90; 90 | 208.591 | Mills, S. J.; Kartashov, P. M.; Gamyanin, G. N.; Whitfield, P. S.; Kern, A.; Guerault, H.; Kampf, A. R.; Raudsepp, M. Fluorocronite, the natural analogue of beta-PbF2, from the Sakha Republic, Russian Federation European Journal of Mineralogy, 2011, 23, 695-700 |
| 9015790 | CIF | Be O | P 63 m c | 2.7002; 2.7002; 4.3851 90; 90; 120 | 27.689 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 543 K Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9015791 | CIF | O2 Si | P 41 21 2 | 4.908; 4.908; 6.784 90; 90; 90 | 163.416 | 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 = 0.6 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9015793 | CIF | H13.64 Mg4 O22.82 Si6 | P n c n | 13.395; 27.016; 5.2765 90; 90; 90 | 1909.46 | Giustetto, R.; Levy, D.; Wahyudi, O.; Ricchiardi, G.; Vitillo, J. G. Crystal structure refinement of a sepiolite/indigo Maya Blue pigment using molecular modelling and synchrotron diffraction European Journal of Mineralogy, 2011, 23, 449-466 |
| 9015794 | CIF | Mn3 Si | F m -3 m | 5.722; 5.722; 5.722 90; 90; 90 | 187.346 | Aronsson, B. A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2 Acta Chemica Scandinavica, 1960, 14, 1414-1418 |
| 9015795 | CIF | Fe0.999 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7516; 4.7516; 9.2258 90; 90; 90 | 208.297 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim19_q1, treated at 750 C for 40 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9015796 | CIF | Al8.88 B5.22 H Na0.77 O31 Si3.78 | R 3 m :H | 15.5996; 15.5996; 7.0224 90; 90; 120 | 1479.94 | Marler, B.; Borowski, M.; Wodara, U.; Schreyer, W. Synthetic tourmaline (olenite) with excess boron replacing silicon in the tetrahedral site: II. Structure analysis Sample: 1 European Journal of Mineralogy, 2002, 14, 763-771 |
| 9015797 | CIF | As S | C 1 2/c 1 | 9.967; 9.355; 8.921 90; 102.52; 90 | 812.025 | Zoppi, M.; Pratesi, G. The dual behavior of the beta-As4S4 altered by light American Mineralogist, 2012, 97, 890-896 |
| 9015798 | CIF | C0.409 Al4 Ca1.352 Cl0.55 Fe0.012 K0.16 Na2.188 O25.388 S0.04 Si8 Sr0.016 | P 42/n :2 | 12.07899; 12.07899; 7.583467 90; 90; 90 | 1106.44 | Antao, S. M.; Hassan, I. Complete Al-Si order in scapolite Me37.5, ideally Ca3Na5[Al8Si16O48]Cl(CO3), and implications for antiphase domain boundaries (APBs) The Canadian Mineralogist, 2011, 49, 581-586 |
| 9015799 | CIF | Bi4 Cu0.73 Pb3.695 S10 | P n m a | 23.816; 4.0408; 19.057 90; 90; 90 | 1833.96 | Topa, D.; Makovicky, E. The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 4 The Canadian Mineralogist, 2010, 48, 1081-1107 |
| 9015800 | CIF | Al0.798 B3 Cr5.322 F0.46 H2.67 Mg2.073 Na O30.54 Si5.898 Ti0.039 V0.87 | R 3 m :H | 16.1121; 16.1121; 7.3701 90; 90; 120 | 1656.95 | Bosi, F.; Reznitskii, L.; Skogby, H. Oxy-chromium-dravite, NaCr3(Cr4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup American Mineralogist, 2012, 97, 2024-2030 |
| 9015801 | CIF | Cs H5 O12 Se U2 | P -1 | 8.6877; 8.7164; 8.9589 95.964; 99.155; 117.318 | 582.847 | 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 3 The Canadian Mineralogist, 2012, 50, 147-157 |
| 9015802 | CIF | B7 Cl Mg3 O13 | F -4 3 c | 12.1; 12.1; 12.1 90; 90; 90 | 1771.56 | Ito, T.; Morimoto, N.; Sadanaga, R. The crystal structure of boracite Note: high boracite Note: T = 300 C Acta Crystallographica, 1951, 4, 310-316 |
| 9015803 | CIF | Fe Ge2 Li O6 | C 1 2/c 1 | 9.5; 8.711; 5.127 90; 101.55; 90 | 415.691 | Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A. High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 4.83 GPa American Mineralogist, 2009, 94, 616-621 |
| 9015805 | CIF | Be O | P 63 m c | 2.6825; 2.6825; 4.3525 90; 90; 120 | 27.124 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: P = 4.0 GPa Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9015806 | CIF | Al11 Fe0.783 H Mg4.217 O24 Ti | P 63 m c | 5.7105; 5.7105; 27.676 90; 90; 120 | 781.596 | Shimura, T.; Akai, J.; Lazic, B.; Armbruster, T.; Shimizu, M.; Kamei, A.; Tsukada, K.; Owada, M.; Yuhara, M. Magnesiohogbomite-2N4S: A new polysome from the central Sor Rondane Mountains, East Antarctica American Mineralogist, 2012, 97, 268-280 |
| 9015807 | CIF | Al2.25 Ca2 Cr0.31 Fe0.03 H2 Mg0.4 Mn0.01 O14 Si3 | C 1 2/m 1 | 19.105; 5.9021; 8.8143 90; 97.513; 90 | 985.365 | Hamada, M.; Akasaka, M.; Seto, S.; Makino, K. Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan Sample: ocp1028 American Mineralogist, 2010, 95, 1294-1304 |
| 9015808 | CIF | Ca H8 O15 Si4 V | P n m a | 9.6329; 13.6606; 9.7949 90; 90; 90 | 1288.92 | Danisi, R. M.; Armbruster, T.; Lazic, B. In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: room temperature American Mineralogist, 2012, 97, 1874-1880 |
| 9015809 | CIF | Mg O3 Si | P b c a | 18.204; 8.81; 5.1731 90; 90; 90 | 829.648 | 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 = 0.22(3) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9015811 | CIF | Al6.81 As0.093 B O17.884 Sb0.023 Si2.884 | P n m a | 4.6971; 11.8149; 20.2267 90; 90; 90 | 1122.5 | Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A. The crystal chemistry of As- and Sb-bearing dumortierite Sample: D21 The Canadian Mineralogist, 2012, 50, 855-872 |
| 9015812 | CIF | La0.2 Nb2 O6 Sr0.8 | P n m a | 11.042; 7.644; 5.563 90; 90; 90 | 469.545 | 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 |
| 9015813 | CIF | Ni Ti | P 1 1 21/m | 2.8758; 4.12644; 4.6325 90; 90; 96.964 | 54.567 | 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 |
| 9015815 | CIF | Ca O3 Sn | P b n m | 5.43626; 5.60235; 7.77743 90; 90; 90 | 236.868 | 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 = 6.73 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305 |
| 9015816 | CIF | Al0.02 Ba0.85 Ca0.15 Fe0.26 K0.72 Mg0.08 Mn0.04 Na1.26 Nb0.16 O14 Si4 Ti1.24 Zr0.02 | I m m a | 8.0884; 10.497; 13.9372 90; 90; 90 | 1183.32 | Uvarova, Y. A.; Sokolova, E.; Hawthorne, F. C.; Liferovich, R. P.; Mitchell, R. H.; Pekov, I. V.; Zadov, A. E. Noonkanbahite, BaKNaTi2(Si4O12)O2, a new mineral sepcies: description and crystal structure Mineralogical Magazine, 2010, 74, 441-450 |
| 9015817 | CIF | Al8.652 B3.252 Ca0.01 F0.04 Fe0.039 H4.85 Li0.33 Mn0.249 Na0.46 O30.96 Si5.472 Ti0.009 | R 3 m :H | 15.8031; 15.8031; 7.0877 90; 90; 120 | 1532.92 | Ertl, A.; Rossman, G. R.; Hughes, J. M.; Prowatke, S.; Ludwig, T. Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from Austria: Structure, chemistry, and infrared and optical spectroscopic study Sample: REDT1 Reported formula: (Na.46 Ca.01) (Al2.37 Li.33 Mn2+.25 Fe2+.04 Ti4+.01) Al6 (Si5.47 Al.28 B.25) O18 (BO3)3 [(OH)2.85 O.15] [O.86 (OH).10 F.04] Tourmaline American Mineralogist, 2005, 90, 481-487 |
| 9015819 | CIF | Ca O8 Ti Zr2.5 | I 41/a c d :2 | 15.189; 15.189; 10.111 90; 90; 90 | 2332.67 | Rastsvetaeva, R. K.; Pushcharovskii, D. Y.; Spiridonov, E. M.; Gekimyants, V. M. Crystal structure of ordered calzirtite Ca2Zr5Ti2O16 magnetite deposit, Russia Crystallography Reports, 1995, 40, 746-748 |
| 9015820 | CIF | S7 Sb4 Sn | P 1 21/m 1 | 11.331; 3.865; 13.94 90; 105.281; 90 | 588.909 | Topa, D.; Makovicky, E.; Schimper, H. J.; Stadler, A.; Basch, A.; Dittrich, H.; Amthauer, G. The crystal structure of SnSb4S7, a new member of the meneghinite homologous series The Canadian Mineralogist, 2010, 48, 1119-1126 |
| 9015822 | CIF | Cu O | C 1 2/c 1 | 4.6776; 3.4593; 5.1264 90; 98.9645; 90 | 81.938 | 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 = 10 min Journal of Solid State Chemistry, 1996, 122, 273-280 |
| 9015824 | CIF | Na Nb0.8 O2.9 Ti0.2 | P b m a | 5.5303; 15.5677; 5.5072 90; 90; 90 | 474.137 | 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 = 0.2 Chemistry of Materials, 2003, 15, 1872-1878 |
| 9015826 | CIF | Al2.729 Ca1.95 Cr0.052 F0.06 Fe2.65 K0.54 Mg1.393 Mn0.03 Na0.47 O23.94 Si5.92 Ti0.226 | C 1 2/m 1 | 9.937; 18.108; 5.335 90; 105.3; 90 | 925.952 | Banno, Y.; Miyawaki, R.; Matsubara, S.; Sato, E.; Nakai, I.; Matsuo, G.; Yamada, S. Potassic-ferropargasite, a new member of the amphibole group, from Kabutoichiba, Mie Prefecture, central Japan Journal of Mineralogical and Petrological Sciences, 2009, 104, 374-382 |
| 9015827 | CIF | Al8.16 B3 F0.1 H3.83 Li0.84 Na0.43 O30.9 Si6 | R 3 m :H | 15.77; 15.77; 7.085 90; 90; 120 | 1525.93 | Selway, J. B.; Novak, M.; Hawthorne, F. C.; Cerny, P.; Ottolini, L.; Kyser, T. K. Rossmanite, _(LiAl2)Al6(Si6O18)(BO3)3(OH)4, a new alkali-deficient tourmaline: Description and crystal structure American Mineralogist, 1998, 83, 896-900 |
| 9015828 | CIF | C Fe O3 | R -3 c :H | 4.518; 4.518; 13.457 90; 90; 120 | 237.887 | 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 P13-2, P = 39.0 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015830 | CIF | Al1.84 Ca0.93 Fe0.16 H18 Mg0.04 Mn2.96 O26 P4 Zn0.07 | P 1 2/a 1 | 15.02; 6.959; 10.137 90; 111.74; 90 | 984.199 | Yakovenchuk, V. N.; Keck, E.; Krivovichev, S. V.; Pakhomovsky, Y. A.; Selivanova, E. A.; Mikhailova, J. A.; Chernyatieva, A. P.; Ivanyuk, G. Y. Whiteite-(CaMnMn), CaMnMn2Al2[PO4]4(OH)2*8H2O, a new mineral from the Hagendorf-Sud granitic pegmatite, Germany Mineralogical Magazine, 2012, 76, 2761-2771 |
| 9015831 | CIF | Fe6 H12 K0.371 O34 Pb0.677 S4 | R -3 m :H | 7.3185; 7.3185; 33.7274 90; 90; 120 | 1564.44 | Basciano, L. C.; Peterson, R. C. A crystallographic study of the incomplete solid-solution between plumbojarosite and jarosite Note Sample G The Canadian Mineralogist, 2010, 48, 651-659 |
| 9015834 | CIF | Al0.08 As1.482 Fe2.81 H10 O14 P0.526 | P 1 21/c 1 | 10.2; 9.718; 5.5432 90; 94.05; 90 | 548.09 | Kolitsch, U.; Atencio, D.; Chukanov, N. V.; Zubkova, N. V.; Menezes, L. A. D.; Coutinho, J. M. V.; Birch, W. D.; Schluter, J.; Pohl, D.; Kampf, A. R.; Steele, I. M.; Favreau, G.; Nasdala, L.; Mockel, S.; Giester, G.; Pushcharovsky, D. Y. Bendadaite, a new iron arsenate mineral of the arthurite group Mineralogical Magazine, 2010, 74, 469-486 |
| 9015835 | CIF | C Ca O3 | R -3 c :H | 4.974; 4.974; 17.261 90; 90; 120 | 369.835 | 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 = 398 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015837 | CIF | Ca3.5 Na4.5 O18 Si6 | P 32 | 10.464; 10.464; 13.176 90; 90; 120 | 1249.42 | Fischer, R. X.; Tillmanns, E. Die Kristallstrukturen von naturlichem Na2Ca2Si3O9 vom Mt.Shaheru (Zaire) und aus dem Mayener Feld (Eifel) Note: this is the low-temperature form of combeite Neues Jahrbuch fur Mineralogie, Monatshefte, 1983, 1983, 49-59 |
| 9015839 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7526; 4.7526; 9.2501 90; 90; 90 | 208.934 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim14_q1, treated at 600 C for 20 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9015840 | CIF | Cu1.84 S | F m -3 m | 5.564; 5.564; 5.564 90; 90; 90 | 172.251 | 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: Cu1.8S (low), T = 300 K Journal of Solid State Chemistry, 1991, 93, 202-211 |
| 9015841 | CIF | Cu O | C 1 2/c 1 | 4.6844; 3.4792; 5.1215 90; 98.6836; 90 | 82.513 | 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 = 32 min Journal of Solid State Chemistry, 1996, 122, 273-280 |
| 9015842 | CIF | Fe S2 | P a -3 | 5.414; 5.414; 5.414 90; 90; 90 | 158.692 | 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 |
| 9015843 | CIF | Al Fe H18 O21 S3 | P -3 1 c | 10.7065; 10.7065; 17.3077 90; 90; 120 | 1718.17 | Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I. Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals Note: sample vulc2 The Canadian Mineralogist, 2010, 48, 323-333 |
| 9015844 | CIF | Cu H16 O20 P2 U2 | P 4/n :2 | 6.96519; 6.96519; 17.3102 90; 90; 90 | 839.785 | 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 8.7 Angstrom phase while heating at 31.5 C American Mineralogist, 2010, 95, 1132-1140 |
| 9015845 | CIF | Al1.46 Fe0.537 Mg1.001 O4 | F d -3 m :2 | 8.1703; 8.1703; 8.1703 90; 90; 90 | 545.399 | 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 = 3 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015847 | CIF | Fe Ge2 Li O6 | P 1 21/c 1 | 9.801; 8.769; 5.331 90; 108.66; 90 | 434.088 | Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A. High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 2.54 GPa American Mineralogist, 2009, 94, 616-621 |
| 9015848 | CIF | Al7.239 B3 Ca0.683 F0.639 Fe0.063 H3.36 Li1.632 Mg0.027 Mn0.036 Na0.247 O30.36 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, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015849 | 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 = eo Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9015850 | CIF | Al7.14 B3 Ca0.61 F0.633 Fe0.12 H3.337 Li1.614 Mg0.057 Mn0.06 Na0.322 O30.337 Pb0.007 Si6 Ti0.006 | R 3 m :H | 15.8438; 15.8438; 7.1043 90; 90; 120 | 1544.44 | 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: L25, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015851 | CIF | C Ca O3 | P m c n | 4.975; 8.0446; 5.8329 90; 90; 90 | 233.444 | 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 = 434 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015852 | CIF | Ag As1.89 Mn1.76 Pb2.12 S12 Sb3.23 | 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 I American Mineralogist, 2012, 97, 440-446 |
| 9015853 | CIF | Cu O10 Si4 Sr | P 4/n c c :2 | 7.36657; 7.36657; 15.5844 90; 90; 90 | 845.709 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = 0.000 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9015854 | CIF | As2 Fe3 H27.12 Mo8 Na3.52 O50.56 | P n m b | 14.8866; 11.088; 15.056 90; 90; 90 | 2485.18 | 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 |
| 9015857 | CIF | Fe0.765 H1.59 K Mg2.235 O12 Si4 | C 1 2/m 1 | 5.3416; 9.2411; 10.2332 90; 99.983; 90 | 497.486 | Scordari, F.; Schingaro, E.; Ventruti, G.; Lacalamita, M.; Ottolini, L. Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content appraisal by a multi-methodic approach Note: Sample LC6_R7 Physics and Chemistry of Minerals, 2008, 35, 163-174 |
| 9015858 | CIF | Mg2 O4 Si | I m m a | 5.7016; 11.4427; 8.2491 90; 90; 90 | 538.185 | Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J. High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 297 K American Mineralogist, 2012, 97, 1582-1590 |
| 9015859 | CIF | Al1.898 Ca1.93 Fe0.05 H2 K0.06 Mg4.24 Mn0.57 Na1.8 O24 Pb0.134 Si6.372 | C 1 2/m 1 | 9.9448; 18.0171; 5.2829 90; 105.445; 90 | 912.387 | Halenius, U.; Bosi, F. Cation ordering in Pb2±bearing, Mn3±rich pargasite from Langban, Sweden American Mineralogist, 2012, 97, 1635-1640 |
| 9015861 | CIF | Al1.33 Ba0.05 F0.17 Fe0.807 H1.553 K0.83 Mg2.193 Na0.07 O11.83 Si2.67 | C 1 2/m 1 | 5.3403; 9.2481; 10.2327 90; 100.017; 90 | 497.665 | Zema, M.; Ventruti, G.; Lacalamita, M.; Scordari, F. Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions Sample: SA1_14n American Mineralogist, 2010, 95, 1458-1466 |
| 9015862 | CIF | Al0.37 Ca2 Fe1.63 O5 | P n m a | 5.4042; 14.6835; 5.5947 90; 90; 90 | 443.954 | 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 = 0.0001 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9015863 | CIF | Pd Sb2 | P a -3 | 6.4584; 6.4584; 6.4584 90; 90; 90 | 269.386 | 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 |
| 9015866 | CIF | Al3.6 H20.04 K3.02 Na0.44 O34.02 Si8.4 | R -3 m :R | 9.442; 9.442; 9.442 94.29; 94.29; 94.29 | 834.316 | 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: K-exchanged Zeolites, 1982, 2, 303-309 |
| 9015868 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.8355; 7.6085; 9.6326 90; 90.159; 90 | 354.391 | 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 = 280 K American Mineralogist, 2010, 95, 1413-1421 |
| 9015869 | CIF | Cr0.5 H12 O21.5 Pb5 Te3 | C 2 2 21 | 9.6646; 19.4962; 10.5101 90; 90; 90 | 1980.34 | 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 |
| 9015870 | CIF | Cu2 O7 V2 | P 1 | 7.8468; 5.6213; 10.18 103.61; 109.71; 45.74 | 302.746 | Yashima, M.; Suzuki, R. O. Electronic structure and magnetic properties of monoclinic beta-Cu2V2O7: A GGA+U study Note: theoretical study, in a triclinic setting Physical Review B, 2009, 79, 125201-125206 |
| 9015871 | CIF | B H O2 | P 1 21/a 1 | 7.122; 8.842; 6.771 90; 93.26; 90 | 425.698 | Zachariasen, W. H. The crystal structure of monoclinic metaboric acid Acta Crystallographica, 1963, 16, 385-389 |
| 9015875 | CIF | C0.704 H2 Al2.28 Na3.702 O15.112 Si3.72 | P 63 m c | 12.584; 12.584; 5.101 90; 90; 120 | 699.557 | 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# u1631 The Canadian Mineralogist, 2012, 49, 1129-1150 |
| 9015879 | CIF | Al1.36 Ba0.03 F0.16 Fe0.806 H1.35 K0.89 Mg2.194 Na0.08 O11.84 Si2.64 | C 1 2/m 1 | 5.32568; 9.2207; 10.2093 90; 100.014; 90 | 493.705 | Zema, M.; Ventruti, G.; Lacalamita, M.; Scordari, F. Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions Sample: SA1_18n American Mineralogist, 2010, 95, 1458-1466 |
| 9015880 | CIF | Fe3 H14 O16 P2 | P -1 | 7.989; 9.321; 4.629 97.34; 95.96; 108.59 | 320.184 | Chukanov, N. V.; Scholz, R.; Aksenov, S. M.; Rastsvetaeva, R. K.; Pekov, I. V.; Belakovskiy, D. I.; Krambrock, K.; Paniago, R. M.; Righi, A.; Martins, R. F.; Belotti, F. M.; Bermanec, V. Metavivianite, Fe2+Fe3+2(PO4)2(OH)2*6H2O: new data and formula revision Mineralogical Magazine, 2012, 76, 725-741 |
| 9015882 | CIF | Al2.15 Ca2 Fe0.12 H Mn0.73 O13 Si3 | P 1 21/m 1 | 8.8727; 5.6686; 10.1682 90; 115.48; 90 | 461.675 | 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=0.25, run 30 American Mineralogist, 2010, 95, 1237-1246 |
| 9015884 | CIF | Al0.08 Ca2 Fe1.513 H Mg0.197 Mn0.21 O15 Si5 | P -1 | 7.469; 12.161; 6.675 86.09; 93.94; 112.21 | 559.398 | Armbruster, T. Cation distribution in Mg, Mn-bearing babingtonite from Arvigo, Val Calanca, Grisons, Switzerland Note: Sample Arvigo 1, NMBE 34973 Schweizerische Mineralogische und Petrographische Mitteilungen, 2000, 80, 279-284 |
| 9015885 | CIF | C Fe O3 | R -3 c :H | 4.348; 4.348; 12.52 90; 90; 120 | 204.981 | 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 P27-3, P = 55.0 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015886 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9723; 7.9983; 5.7931 90; 90; 90 | 230.391 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 527 K American Mineralogist, 2012, 97, 707-712 |
| 9015887 | CIF | Cu O | C 1 2/c 1 | 4.6839; 3.4734; 5.1226 90; 98.73; 90 | 82.374 | 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 = 25 min Journal of Solid State Chemistry, 1996, 122, 273-280 |
| 9015889 | CIF | Ca Cl2 H8 O4 | P -1 | 6.5932; 6.3673; 8.5606 97.83; 93.5; 110.58 | 331.003 | Leclaire, A.; Borel, M. M. Liaisons hydrogene et coordination du calcium dans les cristaux de CaCl2*4H2O alpha Acta Crystallographica, Section B, 1979, 35, 585-588 |
| 9015890 | CIF | Al7.188 B3 Ca0.628 F0.702 Fe0.021 H5.97 Li1.584 Mn0.207 Na0.297 O32.97 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, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015893 | CIF | C Ca O3 | P m c n | 4.9566; 7.9808; 5.7464 90; 90; 90 | 227.314 | 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 = 50 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015895 | CIF | Ca6 H2 O13 Si3 | P -1 | 6.8155; 6.9363; 12.8904 90.652; 97.659; 98.195 | 597.495 | 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-free dellaite Mineralogical Magazine, 2011, 75, 379-394 |
| 9015897 | CIF | La0.924 Nb1.228 O6 Ti0.772 | P n m a | 10.96305; 7.58996; 5.46833 90; 90; 90 | 455.015 | Golobic, A.; Skapin, S. D.; Suvorov, D.; Meden, A. Solving Structural Problems of Ceramic Materials Croatica Chemica Acta, 2004, 77, 435-446 |
| 9015898 | CIF | C Ca O3 | P 63/m m c | 4.1304; 4.1304; 8.4749 90; 90; 120 | 125.213 | Le Bail, A.; Ouhenia, S.; Chateigner, D. Microtwinning hypothesis for a more ordered vaterite model Note: Kamhi (1963) model, not preferred Powder Diffraction, 2011, 26, 16-21 |
| 9015900 | CIF | Al2 Ca H4 O10 Si2 | C m c m | 5.714; 8.592; 12.871 90; 90; 90 | 631.898 | Pawley, A. R.; Allan, D. R. A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN89, P = 9.8 GPa Mineralogical Magazine, 2001, 65, 41-58 |
| 9015903 | CIF | Al7.2 B3 Ca0.02 F0.699 Fe0.909 H6.189 Li0.741 Mn0.09 Na0.83 O30.3 Si6 Zn0.06 | 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: split-site SREF American Mineralogist, 2013, 98, 297-303 |
| 9015904 | CIF | Al4.86 Ca0.53 H31.48 K1.26 Mg Na0.15 O51.74 Si13.14 | P 63/m m c | 18.392; 18.392; 7.646 90; 90; 120 | 2239.87 | Galli, E. Crystal structure refinement of mazzite Rendiconti della Societa Italiana di Mineralogia e Petrologia, 1975, 31, 599-612 |
| 9015905 | CIF | Al3.12 Ca0.348 H19.32 K0.52 Mg0.66 O33.66 Si8.88 | R -3 m :R | 9.3433; 9.3433; 9.3433 94.894; 94.894; 94.894 | 806.178 | Montagna, G.; Bigi, S.; Konya, P.; Szakall, S.; Vezzalini, G. Chabazite-Mg: A new natural zeolite of the chabazite series American Mineralogist, 2010, 95, 939-945 |
| 9015906 | CIF | Fe | F m -3 m | 3.477; 3.477; 3.477 90; 90; 90 | 42.035 | 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 = 25.72 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015907 | CIF | Ba10 Ca2 Cl8 H12 Mn O32 Si8 Ti | P 4/m m m | 14.03; 14.03; 5.635 90; 90; 90 | 1109.2 | Khan, A. A.; Baur, W. H. Eight-membered cyclosilicate rings in muirite Science, 1971, 173, 916-918 |
| 9015908 | CIF | C H Ho O4 | P 21 21 21 | 6.9583; 4.8121; 8.4558 90; 90; 90 | 283.134 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9015909 | CIF | B Ca H O3 | P 1 21/c 1 | 3.5624; 9.5225; 8.6231 90; 119.452; 90 | 254.718 | 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 |
| 9015910 | CIF | F Mg3 O5 Si | P b n m | 4.7; 10.2; 8.72 90; 90; 90 | 418.037 | Taylor, W.; West, J. The Structure of Norbergite _cod_database_code 1011009 Zeitschrift fur Kristallographie, 1929, 70, 461-474 |
| 9015911 | CIF | Al2.06 Ca1.88 Cr0.6 Fe0.14 H2 K0.07 Mg4.06 Na O24 Si6.12 Ti0.02 | C 1 2/m 1 | 9.9176; 18.0057; 5.2865 90; 105.395; 90 | 910.155 | Nishio-Hamane D; Ohnishi, M.; Minakawa, T.; Yamaura, J.; Saito, S.; Kadota, R. Ehimeite, NaCa2Mg4CrSi6Al2O22(OH)2: The first Cr-dominant amphibole from the Akaishi Mine, Higashi-Akaishi Mountain, Ehime Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2012, 107, 1-7 |
| 9015912 | CIF | Al7.392 B3.042 Ca0.02 F0.81 H3.19 Li0.78 Mn0.651 Na0.84 O30.19 Si5.922 Ti0.009 | R 3 m :H | 15.8887; 15.8887; 7.1202 90; 90; 120 | 1556.68 | 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 MAP12 European Journal of Mineralogy, 2012, 24, 695-715 |
| 9015913 | CIF | Al8.37 B6.06 Ca0.05 F0.79 Fe1.122 H6.03 K0.01 Li1.182 Mn0.96 Na0.89 O42.21 Si5.868 Ti0.078 Zn0.018 | R 3 m :H | 15.9107; 15.9107; 7.1267 90; 90; 120 | 1562.42 | 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 BLG1 European Journal of Mineralogy, 2012, 24, 695-715 |
| 9015914 | CIF | C2.64 H40.56 Al0.75 Ca18 Ce0.18 F0.39 Fe3.6 K1.17 Mn5.72 Na47.84 Nb0.87 O254.37 Si75.57 Sr2.43 Ti0.57 Zr9.24 | R 3 m :H | 14.2418; 14.2418; 30.1143 90; 90; 120 | 5289.73 | Nomura, S. F.; Atencio, D.; Chukanov, N. V.; Rastsvetaeva, R. K.; Coutinho, J. M. V.; Karipidis, T. K. Manganoeudialyte - a new mineral from Pocos de Caldas, Minas Gerais, Brazil Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2010, 139, 35-47 |
| 9015915 | CIF | Al7.293 B3 Ca0.684 F0.711 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, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015918 | CIF | Ba O10 Sc2 Si3 | P 1 21/m 1 | 5.273; 11.9181; 6.591 90; 107.06; 90 | 395.98 | 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 |
| 9015921 | CIF | Ag0.51 Bi4 Cu0.463 Pb3.446 S10 | P n m a | 23.879; 4.0453; 19.017 90; 90; 90 | 1837 | Topa, D.; Makovicky, E. The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 6 The Canadian Mineralogist, 2010, 48, 1081-1107 |
| 9015922 | CIF | Al2 Ca0.982 H4 O10 Si2 Sr0.018 | C m c m | 5.8422; 8.7904; 13.1344 90; 90; 90 | 674.521 | 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 #AU76 American Mineralogist, 2010, 95, 724-735 |
| 9015923 | CIF | Fe Ge2 Li O6 | P 1 21/c 1 | 9.843; 8.794; 5.352 90; 108.7; 90 | 438.81 | Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A. High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 1.25 GPa American Mineralogist, 2009, 94, 616-621 |
| 9015924 | CIF | Cu O | C 1 2/c 1 | 4.6832; 3.4288; 5.1297 90; 99.3086; 90 | 81.287 | 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 = 0 min Journal of Solid State Chemistry, 1996, 122, 273-280 |
| 9015925 | CIF | C H O4 Yb | P 42/n m c :2 | 9.3771; 9.3771; 7.7117 90; 90; 90 | 678.09 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9015926 | CIF | Eu O6 Ta2 | P n m a | 11.02; 7.64; 5.61 90; 90; 90 | 472.322 | 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 |
| 9015928 | CIF | Al8.061 B3.354 Be0.024 Ca0.245 Fe0.669 H3.25 Li0.225 Mg0.039 Mn0.021 Na0.545 O31 Si5.352 Ti0.012 | R 3 m :H | 15.8472; 15.8472; 7.0988 90; 90; 120 | 1543.91 | 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: T4 American Mineralogist, 2004, 89, 447-454 |
| 9015929 | CIF | O2 Ti | I 41/a m d :1 | 3.7845; 3.7845; 9.5143 90; 90; 90 | 136.268 | Howard, C. J.; Sabine, T. M.; Dickson, F. Structural and thermal parameters for rutile and anatase Acta Crystallographica, Section B, 1991, 47, 462-468 |
| 9015930 | CIF | Al1.457 Fe0.539 Mg1.002 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 = 0 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015935 | CIF | Cs2 H4 O25 Se5 U4 | P 1 21/n 1 | 10.913; 12.427; 18.448 90; 90.393; 90 | 2501.78 | 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 6 The Canadian Mineralogist, 2012, 50, 147-157 |
| 9015938 | CIF | Ce H2 O5 P | P 31 2 1 | 7.055; 7.055; 6.439 90; 90; 120 | 277.551 | Mooney, R. C. L. Crystal structures of a series of rare earth phosphates Journal of Chemical Physics, 1948, 16, 1003-1003 |
| 9015939 | CIF | Al3.396 Ca1.568 H24.942 Na0.492 O36.471 Si8.556 | R -3 m :R | 9.3943; 9.3943; 9.3943 94.369; 94.369; 94.369 | 821.455 | Nakatsuka, A.; Okada, H.; Fujiwara, K.; Nakayama, N.; Mizota, T. Crystallographic configurations of water molecules and exchangeable cations in a hydrated natural CHA-zeolite (chabazite) Microporous and Mesoporous Materials, 2007, 102, 188-195 |
| 9015940 | CIF | Al0.66 As0.48 B3 Ca3.15 F11.16 Fe0.27 Mn0.03 Na0.27 O39.64 P0.05 Si6.69 Sm7.71 Y4.38 | R 3 m :H | 10.675; 10.675; 27.02 90; 90; 120 | 2666.56 | Raade, G.; Johnsen, O.; Erambert, M.; Petersen, O. V. Hundholmenite-(Y) from Norway - a new mineral species in the vicanite group: descriptive data and crystal structure Mineralogical Magazine, 2007, 71, 179-192 |
| 9015942 | 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, low-temperature experiment American Mineralogist, 2012, 97, 707-712 |
| 9015946 | CIF | Al1.608 Fe0.389 Mg1.003 O4 | F d -3 m :2 | 8.1481; 8.1481; 8.1481 90; 90; 90 | 540.965 | 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 = 3069 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015949 | CIF | Al Ca0.5 O4 Si | P 1 21 1 | 8.22; 8.951; 4.828 90; 90; 90 | 355.231 | Krivovichev, S. V.; Shcherbakova, E. P.; Nishanbaev, T. P. The crystal structure of svyatoslavite and evolution of complexity during crystallization of a CaAl2Si2O8 melt: A structural automata description The Canadian Mineralogist, 2012, 50, 585-592 |
| 9015950 | CIF | O4 Pb W | I 41/a :2 | 5.456; 5.456; 12.02 90; 90; 90 | 357.811 | Moreau, J. M.; Galez, P.; Peigneux, J. P.; Korzhik, M. V. Structural characterization of PbWO4 and related new phase Pb7W8O(32-x) Note: scheelite structure Journal of Alloys and Compounds, 1996, 238, 46-48 |
| 9015955 | CIF | Al0.37 Ca2 Fe1.63 O5 | P n m a | 5.3549; 14.541; 5.5524 90; 90; 90 | 432.341 | 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 = 3.729 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9015956 | CIF | Al8.367 B3.48 Be0.03 Ca0.252 Fe0.336 H3.31 Li0.273 Mg0.012 Mn0.015 Na0.478 O31 Si5.244 Ti0.009 | R 3 m :H | 15.7959; 15.7959; 7.0815 90; 90; 120 | 1530.19 | 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: T3 American Mineralogist, 2004, 89, 447-454 |
| 9015957 | CIF | B6 H8 O14 Sr | P 1 21/a 1 | 14.36; 8.198; 9.93 90; 113.92; 90 | 1068.59 | Clark, J. R. Boron-oxygen polyanion in the crystal structure of tunellite Science, 1963, 141, 1178-1179 |
| 9015958 | CIF | Cl H9 Mn8 O24 Si6 | P -3 m 1 | 13.37; 13.37; 7.11 90; 90; 120 | 1100.69 | Kashaev, A. A. The crystal structure of pyrosmalite Soviet Physics Crystallography, 1968, 12, 923-924 |
| 9015959 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.1353; 5.5062; 9.9432 90; 90; 90 | 883.396 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 2.945 GPa American Mineralogist, 2012, 97, 1165-1176 |
| 9015960 | CIF | C3 H16 Eu0.03 Gd0.08 La0.61 Nd0.95 O17 Pr0.17 Sm0.12 Y0.04 | P c c n | 8.9391; 9.4694; 16.9374 90; 90; 90 | 1433.72 | Morrison, S. M.; Andrade, M. B.; Wenz, M. D.; Domanik, K. J.; Downs, R. T. Lanthanite-(Nd), Nd2(CO3)3*8H2O Acta Crystallographica, Section E, 2013, 69, i15-i16 |
| 9015962 | CIF | C Fe O3 | R -3 c :H | 4.364; 4.364; 12.66 90; 90; 120 | 208.802 | 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 P22, P = 49.2 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015963 | CIF | Al1.88 Ba Fe1.3 H3 Mg0.62 Mn0.08 O15 P3 | P 1 21/m 1 | 9.014; 12.074; 4.926 90; 100.48; 90 | 527.178 | Cooper, M. A.; Hawthorne, F. C. Refinement of the crystal structure of kulanite Note: occupancies of M1 and M2 have been switched, as noted by authors, 2006 The Canadian Mineralogist, 1994, 32, 15-19 |
| 9015964 | CIF | Fe2 O3 | R -3 c :H | 5.0346; 5.0346; 13.7473 90; 90; 120 | 301.771 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 0.001 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9015965 | CIF | Cl5 K Pb2 | P 1 21/c 1 | 8.864; 7.932; 12.491 90; 90.153; 90 | 878.23 | Schluter, J.; Pohl, D.; Britvin, S. The new mineral challacolloite, KPb2Cl5, the natural occurrence of a technically known laser material Neues Jahrbuch fur Mineralogie, Abhandlungen, 2005, 182, 95-101 |
| 9015967 | CIF | Cr H2 O2 | P n 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 |
| 9015968 | CIF | B Nd O5 Si | P 31 2 1 | 6.8035; 6.8035; 6.6487 90; 90; 120 | 266.521 | Shi, Y.; Liang, J. K.; Zhang, H.; Yang, J. L.; Zhuang, W. D.; Rao, G. H. Crystal structure and vibrational spectra studies of stillwellite compounds NdBSiO5 Journal of Alloys and Compounds, 1997, 259, 163-169 |
| 9015969 | CIF | C Ca O3 | P m c n | 4.9644; 8.0057; 5.7805 90; 90; 90 | 229.737 | 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 = 218 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015970 | CIF | Al2.73 Ba0.01 H2.86 K0.465 N0.36 Na0.03 O11.236 Si3.128 | C 1 2/c 1 | 9.027; 5.1999; 20.616 90; 100.113; 90 | 952.67 | Mesto, E.; Scordari, F.; Lacalamita, M.; Schingaro, E. Tobelite and NH4+ -rich muscovite single crystals from Ordovician Armorican sandstones (Brittany, France): Structure and crystal chemistry Note: sample musc_4 American Mineralogist, 2012, 97, 1460-1468 |
| 9015971 | CIF | Al1.608 Fe0.389 Mg1.001 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 = 240 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015974 | CIF | Mg39 O120 Si28 | P 1 | 35.02; 9.23; 7.89 112.94; 90; 90 | 2348.62 | Dodony, I.; Posfai, M.; Buseck, P. R. Revised structure models for antigorite: An HRTEM study Note: n = 14 American Mineralogist, 2002, 87, 1443-1457 |
| 9015975 | CIF | Cr O4 Pb | P 1 21/n 1 | 7.127; 7.438; 6.799 90; 102.43; 90 | 351.971 | Effenberger, H.; Pertlik, F. Four monazite type structures: comparison of SrCrO4, SrSeO4, PbCrO4 (crocoite), and PbSeO4 Zeitschrift für Kristallographie, 1986, 176, 75-83 |
| 9015977 | CIF | K2 O10 Si3 Ti | P 21 21 21 | 7.1362; 9.9084; 12.9414 90; 90; 90 | 915.065 | Dadachov, M.; Le Bail, A. Structure of zeolitic K2TiSi3O9*(H2O) determined ab initio from powder diffraction data _cod_database_code 1000136 European Journal of Solid State and Inorganic Chemistry, 1997, 34, 381-390 |
| 9015978 | CIF | Fe Ge2 Li O6 | C 1 2/c 1 | 9.457; 8.69; 5.113 90; 101.41; 90 | 411.889 | Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A. High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 6.04 GPa American Mineralogist, 2009, 94, 616-621 |
| 9015979 | CIF | Na Nb O3 | R -3 :H | 5.335; 5.335; 15.611 90; 90; 120 | 384.796 | Kumada, N.; Kinomura, N.; Muto, F. Crystal structures of ilmenite type LiNbO~3~ and NaNbO~3~ Journal of the Ceramic Society of Japan, 1990, 98, 384-388 |
| 9015981 | CIF | Ca O8 Ti Zr2.5 | I 41/a c d :2 | 15.2203; 15.2203; 10.1224 90; 90; 90 | 2344.93 | Rossell, H. J. Calzirtite - A fluorite-related superstructure Acta Crystallographica, Section B, 1982, 38, 593-595 |
| 9015983 | CIF | B H O2 | P b n m | 8.019; 9.703; 6.13 90; 90; 90 | 476.965 | Peters, C. R.; Milberg, M. E. The refined structure of orthorhombic metaboric acid Note T = -130 C Acta Crystallographica, 1964, 17, 229-234 |
| 9015984 | CIF | Ca2 Fe2 H O15 Si5 | P -1 | 12.234; 6.707; 7.682 93.97; 111.53; 85.25 | 583.826 | Kosoi, A. L. Structure of babingtonite Kristallografiya, 1975, 20, 730-739 |
| 9015985 | CIF | Fe1.001 Nb0.13 O6 Ta1.869 | P 42/m n m | 4.7509; 4.7509; 9.2811 90; 90; 90 | 209.484 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q3, treated at 600 C for 50 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9015986 | CIF | As H6 K O9 U | P 4/n c c :2 | 7.176; 7.176; 18.126 90; 90; 90 | 933.398 | 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 American Mineralogist, 1964, 49, 1578-1602 |
| 9015987 | CIF | Al7.224 B3 Ca0.636 F0.709 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, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015988 | CIF | C1.083 H5.48 Mg2 N0.136 O11.376 Si3 | P n c n | 13.271; 27.072; 5.2748 90; 90; 90 | 1895.09 | Giustetto, R.; Levy, D.; Wahyudi, O.; Ricchiardi, G.; Vitillo, J. G. Crystal structure refinement of a sepiolite/indigo Maya Blue pigment using molecular modelling and synchrotron diffraction Note: Sepiolite with indigo forming Maya Blue European Journal of Mineralogy, 2011, 23, 449-466 |
| 9015989 | CIF | Al2 H4 Mg2 O9 Si | C 1 | 5.299; 9.181; 14.05 90.06; 90.3; 90 | 683.524 | Zheng, H.; Bailey, S. W. Refinement of an amesite-2H1 polytype from Postmasburg, South Africa Note: polytype 2H1 Clays and Clay Minerals, 1997, 45, 301-310 |
| 9015992 | CIF | Ca O3 Sn | P b n m | 5.5043; 5.6558; 7.8687 90; 90; 90 | 244.962 | 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 = 0.738 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305 |
| 9015995 | CIF | As Co0.01 Ni0.97 S0.02 | P 63 m c | 3.619; 3.619; 5.036 90; 90; 120 | 57.121 | Ondrus, P.; Veselovsky, F.; Gabasova, A.; Hlousek, J.; Srein, V.; Vavrnn, I.; Skala, R.; Sejkora, J.; Drabek, M. Primary minerals of the Jachymov ore district Sample MP511 Journal of the Czech Geological Society, 2003, 48, 19-147 |
| 9015996 | CIF | Al7.308 B3 Ca0.691 F0.679 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, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015997 | CIF | C Fe O3 | R -3 c :H | 4.367; 4.367; 12.74 90; 90; 120 | 210.41 | 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 P21, P = 47.49 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015998 | CIF | K Mn2 O24 P5 | P 1 21/a 1 | 14.546; 15.211; 9.86 90; 105.12; 90 | 2106.09 | Schuelke, U.; Averbuch-Pouchot M Preparation and crystal structure of potassium manganese cyclodecaphosphate octadecahydrate: K2Mn4P10O30*18H2O _cod_database_code 1008657 Zeitschrift fur Anorganische und Allgemeine Chemie, 1994, 620, 545-550 |
| 9016000 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4/n c c :2 | 7.39675; 7.39675; 15.8465 90; 90; 90 | 866.992 | 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 = 5 K European Journal of Mineralogy, 2007, 19, 189-200 |
| 9016003 | CIF | Cl1.45 Pb3.45 S6.55 Sb2.55 | P b a m | 15.194; 23.035; 4.0591 90; 90; 90 | 1420.66 | Doussier, C.; Moelo, Y.; Meerschaut, A.; Leone, P.; Guillot-Deudon C Crystal structure of the new compound Pb3+xSb3 xS7 xCl1+x(x~0.45): The homologous series Pb(2+2N)(Sb,Pb)(2+2N)S(2+2N)(S,Cl)(4+2N)ClN and its polychalcogenide derivatives (N = 1-3) Journal of Solid State Chemistry, 2008, 181, 920-934 |
| 9016004 | CIF | Al1.61 Fe0.391 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 = 189 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016006 | CIF | Ce O6 Ta Ti | P n m a | 10.9694; 7.5288; 5.3829 90; 90; 90 | 444.554 | 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 |
| 9016007 | CIF | Al1.46 Fe0.54 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 550 C Annealing time = 339,180 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016009 | CIF | Fe5 Si3 | P 63/m c m | 6.7108; 6.7108; 4.688 90; 90; 120 | 182.838 | 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 = 5.7 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9016010 | CIF | Cu3 H2 Mo2 O10 | P 1 21/n 1 | 5.3867; 14.001; 5.601 90; 98.535; 90 | 417.745 | Bao, R. L.; Kong, Z. P.; Cu, M.; Yue, B.; Weng, L. H.; He, H. Y. Hydrothermal synthesis and thermal stability of natural mineral lindgrenite Note: atomic coordinates transformed to standard setting Chemical Research in Chinese Universities, 2006, 22, 679-683 |
| 9016012 | CIF | Al2.038 Ba0.01 Ca0.02 Fe0.14 H2 K0.87 Mg0.5 Na0.07 O12 Si3.392 Ti0.01 | C 1 2/c 1 | 5.2112; 9.0383; 19.9473 90; 95.769; 90 | 934.767 | Guven, N. The crystal structures of 2M1 phengite and 2M1 muscovite Note: sample 2M1 phengite Zeitschrift fur Kristallographie, 1971, 134, 196-212 |
| 9016013 | CIF | Ca2 Fe2 O5 | P n m a | 5.4271; 14.7619; 5.5978 90; 90; 90 | 448.464 | 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 = 0.0001 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9016016 | CIF | K Sb | 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 |
| 9016017 | CIF | C Ca O3 | P m c n | 4.9731; 8.0384; 5.8236 90; 90; 90 | 232.803 | 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 = 398 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016018 | CIF | Al0.55 Ca2 Fe1.45 O5 | I 2 m b | 5.324; 14.438; 5.545 90; 90; 90 | 426.233 | 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 = 4.511 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9016019 | CIF | Ca1.88 Fe1.91 H2 K0.54 Mg3.19 O24 Si8 | C 1 2/m 1 | 9.841; 18.019; 5.307 90; 105.33; 90 | 907.58 | 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 = 0.67 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9016020 | CIF | C Ca O3 | R -3 c :H | 4.9767; 4.9767; 17.361 90; 90; 120 | 372.382 | 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 = 578 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016021 | CIF | Al1.455 Fe0.545 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 = 17,520 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016022 | CIF | C Ca O3 | R -3 c :H | 4.99026; 4.99026; 17.0684 90; 90; 120 | 368.103 | 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 |
| 9016025 | CIF | Fe | F m -3 m | 3.475; 3.475; 3.475 90; 90; 90 | 41.963 | 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 = 24.37 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
| 9016027 | CIF | As3 Ca0.4 Ce0.06 Cu6 Fe0.09 H12.96 La0.04 Nd0.01 O21 Y0.31 | P 63/m | 15.583; 15.583; 5.895 90; 90; 120 | 1239.7 | Aruga, A.; Nakai, I. Structure of Ca-rich agardite, (Ca0.40Y0.31Fe0.09Ce0.06La0.04Nd0.01)Cu6.19[(AsO4)2.42(HAsO4)0.49](OH)6.38*3H2O Acta Crystallographica, Section C, 1985, 41, 161-163 |
| 9016028 | CIF | Mn O2 | P n a m | 9.32; 4.46; 2.85 90; 90; 90 | 118.467 | Kondrashev, Y. D.; Zaslavskii, A. I. The structure of the modifications of manganese oxide Izvestiya Akademii Nauk SSSR, 1951, 15, 179-186 |
| 9016029 | CIF | Al1.459 Fe0.54 Mg1.003 O4 | F d -3 m :2 | 8.1705; 8.1705; 8.1705 90; 90; 90 | 545.439 | 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 = 381 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016030 | CIF | Ce0.62 Dy0.02 Er0.01 F0.24 Gd0.02 La0.03 Nd0.06 O1.68 Pr0.01 Sm0.01 Y0.2 Yb0.02 | F m -3 m | 5.4203; 5.4203; 5.4203 90; 90; 90 | 159.247 | Zaitsev, A. N.; Chakhmouradian, A. R.; Siidra, O. I.; Spratt, J.; Williams, C. T.; Stanley, C. J.; Petrov, S. V.; Britvin, S. N.; Polyakova, E. A. Fluorine-, yttrium- and lanthanide-rich cerianite-(Ce) from carbonatitic rocks of the Kerimasi volcano and surrounding explosion craters, Gregory Rift, northern Tanzania Mineralogical Magazine, 2011, 75, 2813-2822 |
| 9016031 | CIF | Cr2.5 Fe2.5 | P 42/m n m | 8.8; 8.8; 4.544 90; 90; 90 | 351.887 | Bergman, G.; Shoemaker, D. P. The determination of the crystal structure of the sigma phase in the iron-chromium and iron-molybdenum systems Acta Crystallographica, 1954, 7, 857-865 |
| 9016033 | CIF | Ca Fe0.05 H4 K4 N2 Na4 O24 S4 | C 1 2/c 1 | 24.902; 5.3323; 17.246 90; 94.281; 90 | 2283.62 | Nestola, F.; Camara, F.; Chukanov, N. V.; Atencio, D.; Coutinho, J. M. V.; Contreira, R. R.; Farber, G. Witzkeite: A new rare nitrate-sulphate mineral from a guano deposit at Punta de Lobos, Chile American Mineralogist, 2012, 97, 1783-1787 |
| 9016034 | CIF | Al2.872 H3 K0.201 N0.78 O12 Si3.128 | C 1 2/c 1 | 9.024; 5.2055; 20.825 90; 99.995; 90 | 963.396 | Mesto, E.; Scordari, F.; Lacalamita, M.; Schingaro, E. Tobelite and NH4+ -rich muscovite single crystals from Ordovician Armorican sandstones (Brittany, France): Structure and crystal chemistry Note: sample tob_7 American Mineralogist, 2012, 97, 1460-1468 |
| 9016035 | CIF | O3.6 Pb0.875 W | P 4/n n c :2 | 7.719; 7.719; 12.018 90; 90; 90 | 716.068 | Moreau, J. M.; Galez, P.; Peigneux, J. P.; Korzhik, M. V. Structural characterization of PbWO4 and related new phase Pb7W8O(32-x) Journal of Alloys and Compounds, 1996, 238, 46-48 |
| 9016036 | CIF | Al14.648 Fe H Mg0.214 O32 Ti0.78 Zn6.37 | P 63 m c | 5.729; 5.729; 37.097 90; 90; 120 | 1054.45 | Armbruster, T.; Bermanec, V.; Zebec, V.; Oberhansli, R. Titanium and iron poor zincohogbomite-16H, Zn14(Al,Fe3+,Ti,Mg)8Al24O62(OH)2, from Nezilovo, Macedonia: occurence and crystal structure of a new polysome Schweizerische Mineralogische und Petrographische Mitteilungen, 1998, 78, 469-477 |
| 9016037 | CIF | Al7.317 B3 Ca0.695 F0.678 Fe0.057 H3.322 Li1.569 Mg0.021 Mn0.033 Na0.24 O30.322 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, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9016039 | CIF | C H K O3 | P 1 21/a 1 | 15.115; 5.6044; 3.6609 90; 103.98; 90 | 300.931 | 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 = 95 K Note z-coordinate of O3 has been modified with a negative sign Acta Crystallographica, Section B, 1974, 30, 1155-1166 |
| 9016041 | CIF | Li O8 Ta3 | C 1 2/c 1 | 9.41; 11.521; 5.0506 90; 91.108; 90 | 547.446 | Santoro, A.; Roth, R. S.; Minor, D. Neutron powder diffraction study of the intermediate-temperature form of lithium tantalate Acta Crystallographica, Section B, 1977, 33, 3945-3947 |
| 9016042 | CIF | Al2 Ca0.82 H4 O10 Si2 Sr0.18 | C m c m | 5.8433; 8.8169; 13.1726 90; 90; 90 | 678.65 | 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 #AU83 American Mineralogist, 2010, 95, 724-735 |
| 9016044 | CIF | Ba Mg2 O7 Si2 | C 1 2/c 1 | 7.24553; 12.71376; 13.74813 90; 90.2107; 90 | 1266.44 | Park, C. H.; Choi, Y. N. Crystal structure of BaMg2Si2O7 and Eu2+ luminescence Journal of Solid State Chemistry, 2009, 182, 1884-1888 |
| 9016046 | CIF | Al9.84 Ca0.84 H12 Mg2.6 Mn6.72 O56 P0.5 Si11.5 | P n m m :2 | 8.6891; 5.7755; 36.9504 90; 90; 90 | 1854.31 | Orlandi, P.; Biagioni, C.; Pasero, M.; Mellini, M. Lavoisierite, Mn2+8[Al10(Mn3+Mg)][Si11P]O44(OH)12, a new mineral from Piedmont, Italy: the link between "ardennite" and sursassite Physics and Chemistry of Minerals, 2013, 40, 239-249 |
| 9016047 | CIF | Ba Er2 O10 Si3 | P 1 21/m 1 | 5.389; 12.163; 6.84 90; 106.47; 90 | 429.941 | 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 |
| 9016050 | CIF | Al0.201 Fe0.339 H4 Mg2.544 O9 Si1.904 | P 3 1 m | 5.3263; 5.3263; 7.2885 90; 90; 120 | 179.069 | Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E. The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: sample Santa Scolastica, polytype 1T The Canadian Mineralogist, 2011, 49, 1045-1054 |
| 9016051 | CIF | Al1.463 Fe0.535 Mg1.002 O4 | F d -3 m :2 | 8.1704; 8.1704; 8.1704 90; 90; 90 | 545.419 | 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 = 6 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016052 | CIF | Mg O3 Si | P b c a | 18.056; 8.692; 5.1192 90; 90; 90 | 803.421 | 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 = 4.19(4) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9016053 | CIF | C0.5 Ca3 O25 S1.27 Si | P 63 | 11.07; 11.07; 10.4397 90; 90; 120 | 1107.93 | 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 Zb-01, single crystal Mineralogical Magazine, 2012, 76, 1133-1152 |
| 9016054 | CIF | H1.816 Na0.06 O15.908 Rb1.769 Si6 Zr | C m c a | 14.2999; 14.4408; 14.769 90; 90; 90 | 3049.83 | 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 150 deg C Crystallography Reports, 2011, 56, 832-841 |
| 9016056 | CIF | Cd Se | P 63 m c | 4.299; 4.299; 7.01 90; 90; 120 | 112.198 | Freeman, D. K.; Mair, S. L.; Barnea, Z. The structure and Bijvoet ratios of cadmium selenide Acta Crystallographica, Section A, 1977, 33, 355-359 |
| 9016057 | CIF | Cu O | C 1 c 1 | 4.6893; 3.4268; 5.1321 90; 99.653; 90 | 81.302 | Asbrink, S.; Waskowska, A. CuO: x-ray single-crystal structure determination at 196 K and room temperature Note: T = 196 K Journal of Physics: Condensed Matter, 1991, 3, 8173-8180 |
| 9016060 | CIF | Al7.239 B3 Ca0.487 F0.708 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, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9016061 | CIF | Cu H2 O20 Pb6 Te4 | P 1 21/n 1 | 7.8552; 10.4836; 11.0426 90; 95.547; 90 | 905.108 | Kampf, A. R.; Marty, J.; Thorne, B. Lead-tellurium oxysalts from Otto Mountain near Baker, California: II. Housleyite, Pb6CuTe4O18(OH)2, a new mineral with Cu-Te octahedral sheets American Mineralogist, 2010, 95, 1337-1342 |
| 9016063 | CIF | As0.66 O14 P1.34 Pb3 Te Zn3 | P 3 2 1 | 8.3942; 8.3942; 5.1847 90; 90; 120 | 316.383 | 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 |
| 9016066 | CIF | Fe15.18 H0.5 K1.72 Na4.42 O50 P12 | C 1 2/c 1 | 16.53; 10.084; 24.64 90; 105.75; 90 | 3953 | Yakubovich, O. V.; Matviyenko, Y. N.; Simonov, M. A.; Melnikov, O. K. The crystalline structure of synthetic Fe3±arrojadites with the idealized formula K2Na5Fe2+14Fe3+(PO4)12(OH)2 Note: the number of errors and/or typos in this paper is large Vestnik Moskovskogo Universiteta Geologiya, 1986, 41, 36-47 |
| 9016067 | CIF | Fe Ge2 Li O6 | C 1 2/c 1 | 9.448; 8.67; 5.101 90; 101.19; 90 | 409.901 | Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A. High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 6.48 GPa American Mineralogist, 2009, 94, 616-621 |
| 9016068 | CIF | Ca3.46 O69.98 Si24 | I m m a | 20.082; 23.613; 12.709 90; 90; 90 | 6026.56 | 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 = 2.5 GPa Note: assignment of site chemistry does not match chemical analysis American Mineralogist, 2010, 95, 1247-1256 |
| 9016069 | CIF | Ca1.88 Fe1.91 H2 K0.54 Mg3.19 O24 Si8 | C 1 2/m 1 | 9.685; 17.794; 5.242 90; 105.94; 90 | 868.644 | 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 = 5.42 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9016070 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.8284; 7.5995; 9.631 90; 90.18; 90 | 353.393 | 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 = 100 K American Mineralogist, 2010, 95, 1413-1421 |
| 9016071 | CIF | C Ca O3 | P m c n | 4.9778; 8.0528; 5.8462 90; 90; 90 | 234.346 | 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 = 477 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016072 | CIF | Al0.94 Cr0.06 Nb O4 | C 1 2/m 1 | 12.162; 3.7454; 6.491 90; 107.64; 90 | 281.772 | Ardit, M.; Dondi, M.; Cruciani, G. Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N06 American Mineralogist, 2012, 97, 910-917 |
| 9016073 | CIF | Al0.706 Ca0.154 H3.27 Na0.592 O5.635 Si1.294 | P m n b | 10.1035; 9.7819; 10.1523 90; 90; 90 | 1003.37 | Gatta, G. D.; Birch, W. D.; Rotiroti, N. Reinvestigation of the crystal structure of the zeolite gobbinsite: a single-crystal x-ray diffraction study American Mineralogist, 2010, 95, 481-486 |
| 9016074 | CIF | Ag17.742 As3.552 S15 Sb0.448 | P -3 m 1 | 7.5984; 7.5984; 15.557 90; 90; 120 | 777.859 | Bindi, L.; Menchetti, S. Fast ion conduction character and ionic phase-transition in silver sulfosalts: The case of fettelite [Ag6As2S7][Ag10HgAs2S8] Note: T = 400 K American Mineralogist, 2011, 96, 792-796 |
| 9016076 | CIF | Al1.46 Fe0.539 Mg1.001 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 = 6141 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016077 | CIF | Fe0.999 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7554; 4.7554; 9.2281 90; 90; 90 | 208.683 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim5_q1, treated at 750 C for 30 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9016078 | CIF | N O12 P4 Pr | C 1 2/c 1 | 7.916; 12.647; 10.672 90; 110.34; 90 | 1001.79 | Masse, R.; Guitel, J. C.; Durif, A. Structure cristalline du tetrametaphosphate de praseodyme-ammonium, PrN H4 P4 O12. Donnees cristallographiques de Pr N H4 P4 O12 Acta Crystallographica, Section B, 1977, 33, 630-632 |
| 9016079 | CIF | As0.54 Cl Cu4 O6 V0.46 | P b c m | 5.44; 11.154; 10.333 90; 90; 90 | 626.983 | Starova, G. L.; Krivovichev, S. V.; Filatov, S. K. Crystal chemistry of inorganic compounds based on chains of oxocentered tetrahedra II. Crystal structure of Cu~4~O~2~[(As,V)O~4~]Cl Zeitschrift für Kristallographie, 1998, 213, 650-653 |
| 9016080 | CIF | Ba0.295 O4 Ti1.3 V0.7 | I 4/m | 10.139; 10.139; 2.961 90; 90; 90 | 304.389 | Shi, N.; Ma, Z.; Liu, W. Crystal structure determination of ankangite with one dimensional incommensurate modulation Acta Petrologica et Mineralogica, 1991, 10, 233-245 |
| 9016082 | CIF | C Fe O3 | R -3 c :H | 4.65; 4.65; 15.12 90; 90; 120 | 283.132 | 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 P3, P = 4.89 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016083 | CIF | Al5.47 B3.17 Ca0.18 Fe1.67 H3.6 Mg1.86 Na0.77 O31 Si5.78 Ti0.05 | R 3 m :H | 15.96; 15.96; 7.238 90; 90; 120 | 1596.67 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Dravite 43167 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9016084 | CIF | Ba O3 Ti | A m m 2 | 3.9841; 5.6741; 5.6916 90; 90; 90 | 128.665 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 230 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9016086 | CIF | Al Cu F H5 O4 | C 1 2/m 1 | 12.346; 2.907; 10.369 90; 97.9; 90 | 368.61 | Hager, S. L.; Leverett, P.; Williams, P. A. Possible structural and chemical relationships in the cyanotrichite group The Canadian Mineralogist, 2009, 47, 635-648 |
| 9016089 | CIF | C H O4 Tb | P 21 21 21 | 7.0256; 4.8577; 8.4657 90; 90; 90 | 288.92 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9016090 | CIF | Al1.609 Fe0.39 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 = 17,520 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016091 | CIF | Al2 Be3 H2 O19 Si6 | P 6/m c c | 9.213; 9.213; 9.206 90; 90; 120 | 676.712 | 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: hydrous beryl Lithos, 1968, 1, 275-285 |
| 9016092 | CIF | Fe3.797 H12 Mg1.203 Na0.365 O24 P4 | C 2 2 21 | 12.7997; 17.9081; 8.2112 90; 90; 90 | 1882.16 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Favreau, G.; Boulliard, J. C.; Bourgoin, V. Angarfite, NaFe3+5(PO4)4(OH)4*4H2O, a new mineral species from the Angarf-Sud pegmatite, Morocco: description and crystal structure The Canadian Mineralogist, 2012, 50, 781-791 |
| 9016095 | CIF | As S | P 1 21/n 1 | 8.873; 12.789; 6.251 90; 107; 90 | 678.349 | 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 = 3.53 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
| 9016096 | CIF | Al1.609 Fe0.391 Mg 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 550 C Annealing time = 0 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016097 | CIF | H10 Mn8 O25 Si6 | P -3 m 1 | 13.42; 13.42; 7.159 90; 90; 120 | 1116.57 | Takeuchi, Y.; Kawada, I.; Irimaziri, S.; Sadanaga, R. The crystal structure and polytypism of manganpyrosmalite Mineralogical Journal, 1969, 5, 450-467 |
| 9016099 | CIF | D4 Na3 O10 Si Ti2 | P 42/m c m | 7.8099; 7.8099; 11.956 90; 90; 90 | 729.251 | 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 = 298 K with neutron Chemistry of Materials, 2010, 22, 4222-4231 |
| 9016100 | CIF | Ca3 O7 Si2 | I 2 c m | 11.4525; 5.0867; 21.9963 90; 90; 90 | 1281.4 | Galuskin, E. V.; Gfeller, F.; Savelyeva, V. B.; Armbruster, T.; Lazic, B.; Galuskina, I. O.; Tobbens, D. M.; Zadov, A. E.; Dzierzanowski, P.; Pertsev, N. N.; Gazeev, V. M. Pavlovskyite Ca8(SiO4)2(Si3O10): a new mineral of altered silicate-carbonate xenoliths from the two Russian type localities, Birkhin massif, Baikal Lake area and Upper Chegem caldera, North Caucasus American Mineralogist, 2012, 97, 503-512 |
| 9016101 | CIF | Al9.024 B6.288 Ca0.12 F0.69 Fe0.18 H6.31 Li1.38 Mn0.858 Na0.76 O42.31 Si5.712 Ti0.018 | R 3 m :H | 15.843; 15.843; 7.1051 90; 90; 120 | 1544.46 | 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 BLP1 European Journal of Mineralogy, 2012, 24, 695-715 |
| 9016102 | CIF | Al2.964 H6.159 K0.876 Na0.071 O14.053 S2 | R -3 m :H | 6.9749; 6.9749; 17.315 90; 90; 120 | 729.506 | 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 = 25 C Mineralogical Magazine, 2012, 76, 613-623 |
| 9016105 | CIF | Cu O | C 1 2/c 1 | 4.6833; 3.4208; 5.1294 90; 99.567; 90 | 81.033 | Brese, N. E.; O'Keeffe M; Ramakrishna, B. L.; von Dreele, R. B. Low-temperature structures of CuO and AgO and their relationships to those of MgO and PdO Note: T = 11 K Journal of Solid State Chemistry, 1990, 89, 184-190 |
| 9016106 | CIF | O0.18 Pb13.44 S36 Sb15.56 | C 1 2/m 1 | 48.19; 4.11; 34.24 90; 106.059; 90 | 6516.97 | Topa, D.; Sejkora, J.; Makovicky, E.; Prsek, J.; Ozdin, D.; Putz, H.; Dittrich, H.; Karup-Moller S Chovanite, Pb15-2xSb14+2xS36Ox (x~0.2), a new sulphosalt species from the Low Tatra Mountains, Western Carpathians, Slovakia European Journal of Mineralogy, 2012, 24, 727-740 |
| 9016109 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4/n c c :2 | 7.39482; 7.39482; 15.8504 90; 90; 90 | 866.753 | 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 = 150 K European Journal of Mineralogy, 2007, 19, 189-200 |
| 9016110 | CIF | Al Ge2 Li O6 | P 1 21/n 1 | 9.8986; 8.4008; 5.4016 90; 110.648; 90 | 420.323 | Redhammer, G. J.; Nestola, F.; Miletich, R. Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry Note: Sample #LA2n_L_tr American Mineralogist, 2012, 97, 1213-1218 |
| 9016111 | CIF | Mg1.84 O4 Si0.98 | 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, split Si model American Mineralogist, 2012, 97, 573-582 |
| 9016112 | CIF | Be O | P 63 m c | 2.7109; 2.7109; 4.3999 90; 90; 120 | 28.003 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 963 K Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9016113 | CIF | Al2.5 Ca0.798 H5.698 Na0.676 O12.849 Si2.5 | P b m n | 13.0603; 13.0456; 6.5981 90; 90; 90 | 1124.18 | Gatta, G. D.; Kahlenberg, V.; Kaindl, R.; Rotiroti, N.; Cappelletti, P.; de Gennaro, M. Crystal structure and low-temperature behavior of "disordered" thomsonite T = 98.0 K American Mineralogist, 2010, 95, 495-502 |
| 9016115 | CIF | Ca2 O12 Pb Si3 Zn3 | P 1 21/n 1 | 8.7889; 8.2685; 15.2535 90; 90.05; 90 | 1108.49 | Tait, K. T.; Yang, H.; Downs, R. T.; Li, C.; Pinch, W. W. The crystal structure of esperite, with a revised chemical formula, PbCa2(ZnSiO4)3, isostructural with beryllonite American Mineralogist, 2010, 95, 699-705 |
| 9016116 | CIF | Mg0.6 Mn1.4 O4 Si | P n m a | 10.52411; 6.17903; 4.83927 90; 90; 90 | 314.692 | 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 |
| 9016118 | CIF | O7 P V | P 1 21/c 1 | 7.613; 7.431; 9.482 90; 95.44; 90 | 534.002 | Le Bail, A.; Ferey, G.; Amoros, P.; Beltran-Portier D Structure of vanadyl hydrogenphosphate dihydrate alpha-VO(HPO4)*2H2O solved from X-ray and neutron powder diffraction _cod_database_code 1000083 European Journal of Solid State and Inorganic Chemistry, 1989, 26, 419-426 |
| 9016119 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7551; 4.7551; 9.281 90; 90; 90 | 209.852 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim14_q0, untreated Mineralogical Magazine, 2006, 70, 319-328 |
| 9016121 | CIF | Ag0.997 Au0.001 Bi0.003 Sb0.002 | F m -3 m | 4.077; 4.077; 4.077 90; 90; 90 | 67.768 | Novgorodova, M. I.; Gorshkov, A. I.; Mokhov, A. V. Native silver and its new structural modifications Note: Sample DV-260 International Geology Review, 1981, 23, 485-494 |
| 9016123 | CIF | As2 H10 Mn3 O14 | P 1 | 5.5828; 9.766; 5.5455 94.467; 111.348; 93.85 | 279.26 | Callegari, A. M.; Boiocchi, M.; Ciriotti, M. E.; Balestra, C. Coralloite, Mn2+Mn3+2(AsO4)2(OH)2*4H2O, a new mixed valence Mn hydrate arsenate: crystal structure and relationships with bermanite and whitmoreite mineral groups American Mineralogist, 2012, 97, 727-734 |
| 9016124 | CIF | As2 H14 Mg0.4 Ni0.6 O17 U2 | C 1 2/m 1 | 17.91; 6.985; 6.594 90; 99.89; 90 | 812.659 | Pekov, I. V.; Levitskiy, V. V.; Krivovichev, S. V.; Zolotarev, A. A.; Chukanov, N. V.; Bryzgalov, I. A.; Zadov, A. E. New nickel-uranium-arsenic mineral species from the oxidation zone of the Belorechenskoye deposit, Northern Caucasus, Russia: II. Dymkovite, Ni(UO2)2(As3+O3)2*7H2O, a seelite-related arsenite European Journal of Mineralogy, 2012, 24, 923-930 |
| 9016125 | CIF | Ca3 O5 Si | P -1 | 11.6389; 14.1716; 13.6434 104.982; 94.622; 90.107 | 2166.2 | De la Torre, A. G.; De Vera, R. N.; Cuberos, A. J. M.; Aranda, M. A. G. Crystal structure of low magnesium-content alite: application to Rietveld quantitative phase analysis Cement and Concrete Research, 2008, 38, 1261-1269 |
| 9016126 | CIF | La0.17 Na1.5 Nb2 O6 | P b c m | 5.5189; 5.5458; 15.6313 90; 90; 90 | 478.423 | 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 = .5, La.17Na1.5Nb2O6 Inorganic Materials, 2004, 40, 1324-1330 |
| 9016127 | CIF | Al Cl3 O6 | R -3 c :R | 7.85; 7.85; 7.85 97; 97; 97 | 471.94 | Andress, K.; Carpenter, C. Kristallhydrate. II.Die Struktur von Chromchlorid- und Aluminiumchloridhexahydrat _cod_database_code 1011008 Zeitschrift fur Kristallographie, 1934, 87, 446-463 |
| 9016129 | CIF | Ca2 O4 Si | P b n m | 5.074; 11.211; 6.753 90; 90; 90 | 384.142 | Zadov, A. E.; Gazeev, V. M.; Pertsev, N. N.; Gurbanov, A. G.; Gobechiya, E. R.; Yamnova, N. A.; Chukanov, N. V. Calcioolivine, gamma-Ca2SiO4, an old and new mineral species Kabarda-Balkaria Republic, Russia Geology of Ore Deposits, 2009, 51, 741-749 |
| 9016130 | CIF | As2 Pt | P a -3 | 5.9665; 5.9665; 5.9665 90; 90; 90 | 212.402 | 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 |
| 9016131 | CIF | C Na1.959 O3 | C 1 2/m 1 | 8.851; 5.24; 6.021 90; 101.08; 90 | 274.044 | 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 |
| 9016133 | CIF | As S | P 1 21/n 1 | 9.164; 13.227; 6.47 90; 106.56; 90 | 751.714 | 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 = 0.89 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
| 9016134 | CIF | Fe Si2 | P 4/m m m | 2.684; 2.684; 5.128 90; 90; 90 | 36.941 | Aronsson, B. A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2 Acta Chemica Scandinavica, 1960, 14, 1414-1418 |
| 9016135 | CIF | B H O2 | P 1 21/a 1 | 7.127; 8.842; 6.773 90; 93.21; 90 | 426.144 | Demartin, F.; Gramaccioli, C. M.; Campostrini, I. Clinometaborite, natural beta-metaboric acid, from La Fossa Crater, Vulcano, Aeolian Islands, Italy The Canadian Mineralogist, 2011, 49, 1273-1279 |
| 9016136 | CIF | B O8 P Th2 | P 1 21/c 1 | 8.4665; 7.9552; 8.2297 90; 103.746; 90 | 538.417 | Lipp, C.; Burns, P. C. Th2[BO4][PO4]: a rare example of an actinide borate-phosphate The Canadian Mineralogist, 2011, 49, 1211-1220 |
| 9016137 | CIF | Ba Be2 O7 Si2 | P m 1 1 | 11.618; 4.904; 4.655 89.94; 90; 90 | 265.217 | Rastsvetaeva, R. K.; Chukanov, N. V. Crystal structure and microtwinning of a new mineral clinobarylite, BaBe2Si2O7 Doklady Akademii Nauk, 2003, 388, 205-207 |
| 9016138 | CIF | Mg1.88 O4 Si0.98 | F d -3 m :2 | 8.1084; 8.1084; 8.1084 90; 90; 90 | 533.096 | 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 = 586 K American Mineralogist, 2012, 97, 573-582 |
| 9016139 | CIF | Fe Ge O3 | C 1 2/c 1 | 9.7838; 9.1349; 5.1929 90; 101.75; 90 | 454.385 | 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 = 50 K American Mineralogist, 2012, 97, 694-706 |
| 9016140 | CIF | Al2 Fe H4 O10 Si2 | C c c b :1 | 13.77; 20.18; 5.109 90; 90; 90 | 1419.68 | MacGillavry, C. H.; Korst, W. L.; Weichel Moore, E. J.; van der Plas, H. J. The crystal structure of ferrocarpholite Acta Crystallographica, 1956, 9, 773-776 |
| 9016141 | CIF | Ca3 F3 K2.44 Mg3 Na6.56 O36 S9 | P 63/m c m | 16.6682; 16.6682; 6.9007 90; 90; 120 | 1660.36 | Pekov, I. V.; Zelenski, M. E.; Zubkova, N. V.; Ksenofontov, D. A.; Kabalov, Y. K.; Chukanov, N. V.; Yapaskurt, V. O.; Zadov, A. E.; Pushcharovsky, D. Y. Krasheninnikovite, KNa2CaMg(SO4)3F, a new mineral from the Tolbachik volcano, Kamchatka, Russia American Mineralogist, 2012, 97, 1788-1795 |
| 9016142 | CIF | Na2 O11 P Te | P 63 | 5.908; 5.908; 15.09 90; 90; 120 | 456.143 | 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 |
| 9016143 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7507; 4.7507; 9.2794 90; 90; 90 | 209.428 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q6, treated at 650 C for 15 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9016145 | CIF | Ag7.998 S3.897 Sn Te2.103 | F -4 3 m | 11.0003; 11.0003; 11.0003 90; 90; 90 | 1331.11 | Bindi, L.; Nestola, F.; Guastoni, A.; Zorzi, F.; Peruzzo, L.; Raber, T. Te-rich canfieldite, Ag8Sn(S,Te)6, from Lengenbach Quarry, Binntal, Canton Valais, Switzerland: Occurrence, description and crystal structure The Canadian Mineralogist, 2012, 50, 111-118 |
| 9016146 | CIF | C Ca O3 | P m c n | 4.9576; 7.9835; 5.7503 90; 90; 90 | 227.591 | 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 = 70 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016147 | CIF | Al0.235 Fe0.147 H4 Mg2.733 O9 Si1.882 | P 3 1 m | 5.3261; 5.3261; 7.273 90; 90; 120 | 178.675 | Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E. The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: Varana 2, polytype 1T The Canadian Mineralogist, 2011, 49, 1045-1054 |
| 9016148 | CIF | H30 Na3 O43 V10 | P 1 21/n 1 | 12.0627; 17.1745; 18.2094 90; 106.34; 90 | 3620.08 | Duraisamy, T.; Ramanan, A.; Vittal, J. J. Novel self-assembled decavanadate clusters forming 1D molecular chains and 2D molecular arrays: [HMTA-H...H2O][HMTA-CH2OH][H3V10O28{Na(H2O)4}]*4H2O and [Na2(H2O)10] [H3V10O28 {Na(H2O)2}]*3H2O Crystal Engineering, 2000, 3, 237-250 |
| 9016149 | CIF | Br2 Co | P -3 m 1 | 3.728; 3.728; 6.169 90; 90; 120 | 74.25 | 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 |
| 9016150 | CIF | Cl O2 Pb1.5 Te0.5 | B m m b | 5.5649; 5.5565; 12.475 90; 90; 90 | 385.744 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.; Thorne, B. Lead-tellurium oxysalts from Otto Mountain near Baker, California: VI. Telluroperite, Pb3Te4+O4Cl2, the Te analog of perite and nadorite American Mineralogist, 2010, 95, 1569-1573 |
| 9016151 | CIF | C Ca O3 | P m c n | 4.9683; 8.0196; 5.7989 90; 90; 90 | 231.05 | 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 = 297 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016152 | CIF | Ba O3 Ti | R 3 m :R | 4.0042; 4.0042; 4.0042 89.837; 89.837; 89.837 | 64.201 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 70 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9016153 | CIF | Mg O3 Si | P b c a | 18.105; 8.734; 5.1376 90; 90; 90 | 812.404 | 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 = 2.69(5) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9016154 | CIF | C Fe O3 | R -3 c :H | 4.3474; 4.3474; 12.534 90; 90; 120 | 205.154 | 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 P27-1, P = 55.0 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016155 | CIF | D4 Na O9 Si Ti2 | P 42/m c m | 7.88; 7.88; 11.953 90; 90; 90 | 742.214 | 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 = 20 K with neutron Chemistry of Materials, 2010, 22, 4222-4231 |
| 9016156 | CIF | Al4 Ca2 O17 Si4 | C 1 2/c 1 | 20.82; 9.35; 8.359 90; 78.86; 90 | 1596.56 | Lazic, B.; Armbruster, T.; Liebich, B. W.; Perfler, L. Hydrogen-bond system and dehydration behavior of the natural zeolite partheite Note: T = 275 C American Mineralogist, 2012, 97, 1866-1873 |
| 9016157 | CIF | Al0.55 Ca2 Fe1.45 O5 | I 2 m b | 5.361; 14.5523; 5.5958 90; 90; 90 | 436.556 | 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 = 1.49 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9016160 | CIF | Cu3 H6 O11 V2 | C 1 2/m 1 | 10.61; 5.866; 7.208 90; 95.04; 90 | 446.879 | Basso, R.; Palenzona, A.; Zefiro, L. Crystal structure refinement of volborthite from Scrava mine (Eastern Liguria, Italy) Note: split O1 and O5 atoms Neues Jahrbuch fur Mineralogie, Monatshefte, 1988, 1988, 385-394 |
| 9016161 | CIF | C0.118 H3.224 Cr0.23 Mg0.77 O2.966 | R -3 m :H | 3.09552; 3.09552; 23.5042 90; 90; 120 | 195.049 | 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: 3R1 polytype of stichtite American Mineralogist, 2011, 96, 179-187 |
| 9016162 | CIF | As Cu H3 O5 | P -1 | 6.433; 8.093; 15.764 86.65; 84.35; 84.47 | 811.928 | Prencipe, M.; Pushcharovsky, D. Y.; Sarp, H.; Ferraris, G. Comparative crystal chemistry of geminite Cu[AsO3OH]H2O and related minerals Moscow University Geology Bulletin, 1996, 51, 51-58 |
| 9016163 | CIF | F0.24 H1.32 Mg4.7 O9.76 Si2 Ti0.3 | P 1 21/c 1 | 7.88; 4.726; 10.29 90; 109.04; 90 | 362.244 | Pekov, I. V.; Gerasimova, E. I.; Chukanov, N. V.; Kabalov, Y. K.; Zubkova, N. V.; Zadov, A. E.; Yapaskurt, V. O.; Gekimyants, V. M.; Pushcharovskii, D. Y. Hydroxylchondrodite Mg5(SiO4)2(OH)2: a new mineral of the humite group and its crystal structure Doklady Akademii Nauk, 2011, 436, 526-532 |
| 9016164 | CIF | Al Be3 Ca4 H3 O28 Si9 | C m c m | 23.1965; 4.9741; 19.4221 90; 90; 90 | 2240.96 | 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 |
| 9016165 | CIF | Al2 Co O4 | F d -3 m :2 | 8.1047; 8.1047; 8.1047 90; 90; 90 | 532.367 | 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: CoAl100 American Mineralogist, 2012, 97, 1834-1840 |
| 9016167 | CIF | Ca Fe2 H16 Mg0.464 Mn O25 P4 Zn2.036 | P 1 21/c 1 | 6.3868; 21.26; 15.365 90; 90.564; 90 | 2086.21 | Kampf, A. R.; Mills, S. J.; Simmons, W. B.; Nizamoff, J. W.; Whitmore, R. W. Falsterite, Ca2MgMn2+2(Fe2+0.5Fe3+0.5)4Zn4(PO4)8(OH)4(H2O)14, a new secondary phosphate mineral from the Palermo No. 1 pegmatite, North Groton, New Hampshire American Mineralogist, 2012, 97, 496-502 |
| 9016168 | CIF | N2 O13 P4 Si | P -1 | 15.14; 7.684; 4.861 97.86; 96.74; 83.89 | 553.971 | Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C. Structure cristalline de (N H4)2 Si P4 O13: un nouvel exemple de silicium hexacoordine Acta Crystallographica, Section B, 1976, 32, 2957-2960 |
| 9016169 | CIF | Bi0.75 Pb0.125 Pt0.125 S0.796 Se0.026 | F m -3 m | 5.86; 5.865; 5.86 90; 90; 90 | 201.402 | Cook, N. J.; Wood, S. A.; Gebert, W.; Bernhardt, H. J.; Medenbach, O. Crerarite, a new Pt-Bi-Pb-S mineral from the Cu-Ni-PGE deposit at Lac Sheen, Abitibi-Temiscaminque, Quebec, Canada Neues Jahrbuch fur Mineralogie, Monatshefte, 1994, 1994, 567-575 |
| 9016171 | CIF | C O6 Pb2 S2 | P n m a | 16.343; 8.76; 4.592 90; 90; 90 | 657.412 | 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-02 Mineralogical Magazine, 2011, 75, 2721-2732 |
| 9016172 | CIF | Ag0.507 Au1.49 Te4 | P m a 2 | 16.59; 8.867; 4.4886 90; 90; 90 | 660.289 | Dye, M. D.; Smyth, J. R. The crystal structure and genesis of krennerite, Au3AgTe8 The Canadian Mineralogist, 2012, 50, 119-127 |
| 9016173 | CIF | Na Nb O3 | P 2 2 21 | 5.504; 5.568; 15.52 90; 90; 90 | 475.63 | Vousden, P. The structure of ferroelectric sodium niobate at room temperature Note: this is a possible polymorph of lueshite Acta Crystallographica, 1951, 4, 545-551 |
| 9016174 | CIF | Al3.42 B3 Ca0.01 Fe3.828 H3.6 Mg1.269 Na0.99 O31 Si6 Ti0.402 V0.021 | R 3 m :H | 16.073; 16.073; 7.306 90; 90; 120 | 1634.57 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Schorl 2672 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9016175 | CIF | Al1.61 Fe0.389 Mg1.001 O4 | F d -3 m :2 | 8.1481; 8.1481; 8.1481 90; 90; 90 | 540.965 | 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 = 46,161 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016176 | CIF | Al7.257 B3 Ca0.696 F0.668 Fe0.03 H3.332 Li1.68 Mn0.033 Na0.228 O30.332 Pb0.01 Si6 | R 3 m :H | 15.8248; 15.8248; 7.0993 90; 90; 120 | 1539.65 | 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: L15, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9016177 | CIF | As1.079 H6.74 O7.87 Zn2 | P 1 21/c 1 | 11.793; 9.1138; 6.8265 90; 103.859; 90 | 712.346 | Cooper, M. A.; Abdu, Y. A.; Ball, N. A.; Hawthorne, F. C.; Back, M. E.; Tait, K. T.; Schluter, J.; Malcherek, T.; Pohl, D.; Gebhard, G. Ianbruceite, ideally [Zn2(OH)(H2O)(AsO4)](H2O)2, a new arsenate mineral from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia: description and crystal structure Mineralogical Magazine, 2012, 76, 1119-1131 |
| 9016179 | CIF | C Ca O3 | R -3 c :H | 4.976; 4.976; 17.227 90; 90; 120 | 369.404 | 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 |
| 9016180 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.2004; 5.5529; 10.0423 90; 90; 90 | 903.397 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = .0001 GPa American Mineralogist, 2012, 97, 1165-1176 |
| 9016181 | CIF | C0.49 Na4 O7.51 S1.51 | P m n m :2 | 5.198; 9.255; 7.085 90; 90; 90 | 340.842 | Giuseppetti, G.; Mazzi, F.; Tadini, C. The crystal structure of synthetic burkeite Sample C Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths Neues Jahrbuch fur Mineralogie, Monatshefte, 1988, 1988, 203-221 |
| 9016182 | CIF | C Fe3 | P b n m | 4.5144; 5.0787; 6.7297 90; 90; 90 | 154.294 | Lipson, H.; Petch, N. J. The crystal structure of cementite, Fe3C The Journal of the Iron and Steel Institute, 1940, 142, 95-103 |
| 9016184 | CIF | Fe | F m -3 m | 3.504; 3.504; 3.504 90; 90; 90 | 43.022 | 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 = 20.64 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9016186 | CIF | Al2 Ge H2 O6 | P n m a | 9.107; 8.551; 4.804 90; 90; 90 | 374.106 | Marler, B.; Wunder, B. Crystal structure of dialuminium dihydroxogermanate, Al~2~GeO~4~(OH)~2~ Zeitschrift für Kristallographie - New Crystal Structures, 1998, 213, 3-3 |
| 9016187 | CIF | Fe5 Si3 | P 63/m c m | 6.7031; 6.7031; 4.676 90; 90; 120 | 181.952 | 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 = 7.5 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9016189 | CIF | Ca O3 Sn | P b n m | 5.4448; 5.60887; 7.78906 90; 90; 90 | 237.871 | 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 = 5.98 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305 |
| 9016190 | CIF | Ti | P 63/m m c | 2.95; 2.95; 4.68 90; 90; 120 | 35.271 | Glavatskikh, S. F.; Gorshkov, A. I. Natural analog of alpha-titanium in the exhalation products of the Great Tolbachik Fissure Eruption (Kamchatka) Doklady Akademii Nauk SSSR, 1992, 327, 123-127 |
| 9016195 | CIF | Co1.5 Cs H4 O26 Se2 U4 | C 1 2/c 1 | 8.744; 14.38; 17.901 90; 103.654; 90 | 2187.24 | 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 2 The Canadian Mineralogist, 2012, 50, 147-157 |
| 9016197 | CIF | O6 P Rb V | P b c a | 6.8182; 9.291; 17.631 90; 90; 90 | 1116.89 | 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 1000081 European Journal of Solid State and Inorganic Chemistry, 1988, 25, 599-607 |
| 9016199 | CIF | Al2.09 Ca2 Fe0.91 H O13 Si3 | P 1 21/m 1 | 8.8902; 5.6366; 10.16 90; 115.432; 90 | 459.786 | 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=1.0, run 41 American Mineralogist, 2010, 95, 1237-1246 |
| 9016200 | CIF | C Ca O3 | R -3 c :H | 4.9757; 4.9757; 17.273 90; 90; 120 | 370.345 | 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 = 434 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016202 | CIF | Ba Gd2 O10 Si3 | P 1 21/m 1 | 5.435; 12.241; 6.932 90; 106.26; 90 | 442.738 | 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 |
| 9016203 | CIF | As2.889 Ca2.01 Mg0.304 Mn1.696 Na0.99 O12 | I a -3 d | 12.4929; 12.4929; 12.4929 90; 90; 90 | 1949.8 | Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097 |
| 9016204 | CIF | H O5 P Zn2 | P -1 | 5.499; 5.654; 6.465 102.85; 102.77; 86.83 | 191.12 | Fanfani, L.; Zanazzi, P. F. Dati strutturali sulla tarbuttite Periodico di Mineralogia, 1965, 34, 539-545 |
| 9016206 | CIF | B11 H7 O22 Sr2 | P 1 21 1 | 6.7; 20.8; 6.6 90; 119.25; 90 | 802.501 | Rumanova, I. M.; Gandymov, O. The crystal structure of the natural strontium borate, p-veatchite, Sr2[B5O8(OH)]2*B(OH)3*H2O Note: polytype veatchite-1M, formally known as veatchite-p Soviet Physics Crystallography, 1971, 16, 75-81 |
| 9016209 | CIF | C2 H2 Ba0.09 Ca0.19 Ce0.11 Dy0.02 Er0.01 Gd0.02 La0.09 Na0.5 O7 Pr0.01 Sr0.71 Y0.24 Yb0.01 | R 3 m :H | 5.211; 5.211; 18.357 90; 90; 120 | 431.692 | 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 |
| 9016211 | CIF | As0.404 O14 P1.594 Pb3 Te Zn3 | P 3 2 1 | 8.392; 8.392; 5.204 90; 90; 120 | 317.394 | 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 |
| 9016212 | CIF | Fe1.1 Mg0.75 Mn0.15 O4 Si | P b n m | 4.798; 10.39; 6.055 90; 90; 90 | 301.849 | Hazen, R. M. Effects of temperature and pressure on the crystal structure of ferromagnesian olivine T = 23 C, P = 1 atm , Evacuated silica capillary American Mineralogist, 1977, 62, 286-295 |
| 9016213 | CIF | Cr2 O3 | R -3 c :H | 4.953; 4.953; 13.5884 90; 90; 120 | 288.693 | 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 = 0 GPa, data from Ovsyannikov and Dubrovinsky (2011) American Mineralogist, 2012, 97, 1764-1770 |
| 9016214 | CIF | Pb10.15 S22 Sb7.85 | P 1 21/a 1 | 21.554; 23.454; 8.079 90; 100.76; 90 | 4012.35 | Ventruti, G.; Stasi, F.; Pinto, D.; Vurro, F.; Renna, M. The plumose boulangerite from Bottino, Apuan Alps, Italy: Crystal structure, OD character and twinning Note: MDO1 polytype The Canadian Mineralogist, 2012, 50, 181-199 |
| 9016215 | CIF | C Ca O3 | P b n m | 4.13; 7.15; 8.48 90; 90; 90 | 250.41 | Meyer, H. J. Uber Vaterit und seine Struktur Angewandte Chemie, 1959, 71, 678-679 |
| 9016216 | CIF | Al7.767 B3 F0.57 H6 Mn1.233 Na0.666 O30.43 Si6 | R 3 m :H | 15.951; 15.951; 7.138 90; 90; 120 | 1572.83 | 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 mnelb3 American Mineralogist, 2012, 97, 1402-1416 |
| 9016218 | CIF | Al0.04 As2.16 Ba0.468 Fe3.96 H9.04 K0.039 Na0.021 O18.52 P0.84 | P -4 3 m | 7.942; 7.942; 7.942 90; 90; 90 | 500.945 | 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-C The Canadian Mineralogist, 2010, 48, 1477-1485 |
| 9016220 | CIF | Ca H7 K O13 Si4 | P 1 21/c 1 | 6.4897; 6.9969; 26.714 90; 94.597; 90 | 1209.12 | 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 |
| 9016221 | CIF | Ba O9 Si3 Ti | P -6 c 2 | 6.5689; 6.5689; 9.6804 90; 90; 120 | 361.751 | 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 = 3.56 GPa American Mineralogist, 2012, 97, 1749-1763 |
| 9016223 | CIF | C Ca O3 | P m c n | 4.9624; 7.9989; 5.7714 90; 90; 90 | 229.088 | 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 = 175 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016224 | CIF | Na Nb0.95 O2.975 Ti0.05 | P b m a | 5.5528; 15.5597; 5.514 90; 90; 90 | 476.409 | 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 = 0.05 Chemistry of Materials, 2003, 15, 1872-1878 |
| 9016225 | CIF | O2 Si | P 1 21/c 1 | 8.011; 4.544; 8.89 90; 121; 90 | 277.391 | 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 = 4.9 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9016226 | CIF | Fe1.74 K0.81 Mn0.26 Na0.35 O30 Si12 Zn2.79 | P 6/m c c | 10.12; 10.12; 14.298 90; 90; 120 | 1268.14 | Bojar, H. P.; Walter, F.; Hauzenberger, C.; Postl, W. Klochite, K_2(Fe2+Fe3+)Zn3[Si12O30], a new milarite-type mineral species from the Kloch volcano, Styria, Austria The Canadian Mineralogist, 2011, 49, 1115-1124 |
| 9016227 | CIF | Ni0.493 Ti0.507 | P m -3 m | 3.01302; 3.01302; 3.01302 90; 90; 90 | 27.353 | 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 |
| 9016228 | CIF | Cu3 H6 O11 V2 | I 1 2/a 1 | 10.6418; 5.8485; 14.4157 90; 95.443; 90 | 893.17 | Yoshida, H.; Yamaura, J.; Isobe, M.; Nilsen, G. J.; Hiroi, Z. Orbital Switching in a Frustrated Magnet Nature Communications, 2012, 3, 860-865 |
| 9016230 | CIF | H4 Na2 O11 Si2 Ti2 | P 1 | 5.383; 7.053; 12.17 93.16; 107.82; 90.06 | 439.135 | Khalilov, A. D. Refinement of the crystal structure of murmanite and new data on its crystal-chemical characteristics Mineralogiceskij Zhurnal, 1989, 11, 19-27 |
| 9016232 | CIF | C Ca O3 | P m c n | 4.9767; 8.0486; 5.8396 90; 90; 90 | 233.908 | 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 = 458 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016233 | CIF | Mg48 O147 Si34 | P 1 | 43.5; 9.23; 7.27 90; 92; 84.75 | 2904.91 | Dodony, I.; Posfai, M.; Buseck, P. R. Revised structure models for antigorite: An HRTEM study Note: n = 17 American Mineralogist, 2002, 87, 1443-1457 |
| 9016235 | CIF | Ag0.331 Bi3.875 Cu0.203 Pb3.32 S10 Sb0.447 | P n m a | 23.652; 4.0539; 19.095 90; 90; 90 | 1830.88 | Topa, D.; Makovicky, E. The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 3 The Canadian Mineralogist, 2010, 48, 1081-1107 |
| 9016236 | CIF | Ba0.02 Ca3.58 Ce0.46 Dy0.02 F2.82 Gd0.02 La0.18 Na2.2 Nb0.12 Nd0.18 O15.18 Pr0.06 Si4 Sm0.04 Sr0.14 Ti0.85 Y0.12 Zr0.03 | P 1 21/c 1 | 7.4263; 5.6774; 18.8261 90; 101.39; 90 | 778.115 | 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 YuksFe Mineralogical Magazine, 2011, 75, 2755-2774 |
| 9016237 | CIF | Co0.008 Cu0.006 Fe0.316 Ir0.202 Ni0.421 Os0.003 Pt0.032 Rh0.006 Ru0.004 | P 63/m m c | 2.6939; 2.6939; 4.2732 90; 90; 120 | 26.856 | McDonald, A. M.; Proenza, J. A.; Zaccarini, F.; Rudashevsky, N. S.; Cabri, L. J.; Stanley, C. J.; Rudashevsky, V. N.; Melgarejo, J. C.; Lewis, J. F.; Longo, F.; Bakker, R. J. Garutiite, (Ni,Fe,Ir), a new hexagonal polymorph of native Ni from Loma Peguera, Dominican Republic European Journal of Mineralogy, 2010, 22, 293-304 |
| 9016238 | CIF | Al1.608 Fe0.39 Mg O4 | F d -3 m :2 | 8.1463; 8.1463; 8.1463 90; 90; 90 | 540.606 | 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 = 960 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016239 | CIF | Al2 H4 O10 Si2 Sr | P 1 21/m 1 | 5.4231; 13.2761; 5.8583 90; 124.42; 90 | 347.936 | 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 #Pt100 American Mineralogist, 2010, 95, 724-735 |
| 9016240 | CIF | C Ca O3 | P m c n | 4.9664; 8.0126; 5.7898 90; 90; 90 | 230.398 | 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 = 258 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016241 | CIF | Fe0.812 H1.554 K Mg2.188 O12 Si4 | C 1 2/m 1 | 5.34; 9.2376; 10.2414 90; 100.014; 90 | 497.499 | Scordari, F.; Schingaro, E.; Ventruti, G.; Lacalamita, M.; Ottolini, L. Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content appraisal by a multi-methodic approach Note: Sample LC6_R29 Physics and Chemistry of Minerals, 2008, 35, 163-174 |
| 9016242 | CIF | Al1.99 Ca2 Cr0.42 Fe0.09 H Mg0.48 Mn0.02 O14 Si3 | C 1 2/m 1 | 19.174; 5.9194; 8.83 90; 97.497; 90 | 993.625 | Hamada, M.; Akasaka, M.; Seto, S.; Makino, K. Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan Sample: ocp1016 American Mineralogist, 2010, 95, 1294-1304 |
| 9016243 | CIF | Al0.5 Ca0.6 Fe La3.4 Mn0.5 Nb0.5 O22 Si4 Ti2.5 | P 1 21/a 1 | 13.668; 5.6601; 11.743 90; 113.64; 90 | 832.229 | Chukanov, N. V.; Blass, G.; Pekov, I. V.; Belakovskiy, D. I.; Van, K. V.; Rastsvetaeva, R. K.; Aksenov, S. M. Perrierite-(La) (La,Ce,Ca)4Fe2+(Ti,Fe)4(Si2O7)2O8 - a new mineral species from volcanic region Eifel, Germany Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2011, 140, 34-44 |
| 9016244 | CIF | Cl6 Fe K3 Na | R -3 c :R | 8.3376; 8.3376; 8.3376 92.29; 92.29; 92.29 | 578.166 | 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 |
| 9016246 | CIF | Ba1.5 Ca0.4 F1.6 Fe0.6 K0.3 Mg0.8 Mn0.2 Na1.9 Nb0.1 O16.4 Si4 Sr0.2 Ti2 | C 1 2/m 1 | 19.905; 7.098; 5.405 90; 96.349; 90 | 758.966 | Chukanov, N. V.; Pekov, I. V.; Rastsvetaeva, R. K.; Aksenov, S. M.; Zadov, A. E.; Van, K. V.; Blass, G.; Schuller, W.; Ternes, B. Lileyite, Ba2(Na,Fe,Ca)3MgTi2(Si2O7)2O2F2, a new lamprophyllite-group mineral from the Eifel volcanic area, Germany European Journal of Mineralogy, 2012, 24, 181-188 |
| 9016247 | CIF | Ca2 Fe2 O5 | P n m a | 5.3035; 14.4389; 5.4979 90; 90; 90 | 421.011 | 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 = 9.73 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9016248 | CIF | Li Nb O3 | R -3 :H | 5.212; 5.212; 14.356 90; 90; 120 | 337.733 | Kumada, N.; Kinomura, N.; Muto, F. Crystal structures of ilmenite type LiNbO~3~ and NaNbO~3~ Journal of the Ceramic Society of Japan, 1990, 98, 384-388 |
| 9016249 | CIF | O2 Si | P 41 21 2 | 4.599; 4.599; 6.13 90; 90; 90 | 129.654 | 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 = 9.1 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9016250 | CIF | Al7.257 B3 Ca0.696 F0.666 Fe0.03 H3.333 Li1.68 Mn0.033 Na0.228 O30.333 Pb0.01 Si6 | R 3 m :H | 15.8248; 15.8248; 7.0993 90; 90; 120 | 1539.65 | 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: L15, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9016252 | CIF | Ag0.985 Cu0.005 | F m -3 m | 4.084; 4.084; 4.084 90; 90; 90 | 68.117 | Novgorodova, M. I.; Gorshkov, A. I.; Mokhov, A. V. Native silver and its new structural modifications Note: Sample DV-300 International Geology Review, 1981, 23, 485-494 |
| 9016253 | CIF | As3 Fe4 H10.8 K0.39 O19.1 | P -4 3 m | 7.9587; 7.9587; 7.9587 90; 90; 90 | 504.111 | Mills, S. J.; Kampf, A. R.; Williams, P. A.; Leverett, P.; Poirier, G.; Raudsepp, M.; Francis, C. A. Hydroniumpharmacosiderite, a new member of the pharmacosiderite supergroup from Cornwall, UK: structure and description Mineralogical Magazine, 2010, 74, 863-869 |
| 9016254 | CIF | Al5.295 B3 Ca0.06 F0.3 Fe3.705 H3.23 Na0.94 O30.7 Si6 | R 3 m :H | 16.0393; 16.0393; 7.2536 90; 90; 120 | 1616.05 | 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 bls1 American Mineralogist, 2012, 97, 1402-1416 |
| 9016256 | CIF | Ba0.3 Ca0.7 Fe0.5 H18 K1.2 Mg0.15 Na0.15 O36 Si13 | P n m 21 | 6.538; 6.975; 37.26 90; 90; 90 | 1699.15 | Rastvetaeva, R. K.; Aksenov, S. M.; Chukanov, N. V. Crystal structure of gunterblassite, a new mineral with a triple tetrahedral layer Note: tetrahedral sites, Si8.83 Al3.06, but occupancies were not reported Doklady Chemistry, 2012, 442, 57-62 |
| 9016257 | CIF | Mg O3 Si | P b c a | 18.019; 8.668; 5.1073 90; 90; 90 | 797.703 | 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 = 5.21(7) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9016258 | CIF | As Ca Cu0.87 H Mg0.13 O5 | P 21 21 21 | 7.429; 5.852; 9.215 90; 90; 90 | 400.618 | 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 |
| 9016259 | CIF | C H2 Cl6 O4 Pb4 | P 1 21/m 1 | 4.2043; 9.199; 16.663 90; 91.82; 90 | 644.122 | Kutzke, H.; Klapper, H.; Merlino, S.; Pasero, M.; Perchiazzi, N.; Eggert, G. The crystal structure of barstowite, Pb4Cl6(CO3)*H2O, determined on crystals from Etruscan slags and from a Late-Hellenistic shipwreck Zeitschrift fur Kristallographie, 2000, 215, 110-113 |
| 9016260 | CIF | Mn5 Si3 | P 63/m c m | 6.91; 6.91; 4.814 90; 90; 120 | 199.064 | Aronsson, B. A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2 Acta Chemica Scandinavica, 1960, 14, 1414-1418 |
| 9016263 | CIF | Ba Be F O4 P | F 1 | 6.889; 16.814; 6.902 90.01; 89.99; 90.32 | 799.458 | Simonov, M. A.; Egorov-Tismenko Y K; Belov, N. V. Use of modern X-ray equipment to solve fine problems of structural mineralogy by the example of the crystal structure of babefphite BaBe(PO4)F Soviet Physics Crystallography, 1980, 25, 28-31 |
| 9016264 | CIF | C H Er O4 | P 21 21 21 | 6.9386; 4.7963; 8.4863 90; 90; 90 | 282.421 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9016265 | CIF | Mg O3 Si | P b c a | 17.897; 8.575; 5.0664 90; 90; 90 | 777.524 | 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 = 9.36(5) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9016266 | CIF | Ca3.48 O67.73 Si24 | I m m a | 20.3266; 23.876; 12.8252 90; 90; 90 | 6224.3 | 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 Note: assignment of site chemistry does not match chemical analysis American Mineralogist, 2010, 95, 1247-1256 |
| 9016267 | CIF | Al1.61 Fe0.388 Mg O4 | F d -3 m :2 | 8.1475; 8.1475; 8.1475 90; 90; 90 | 540.845 | 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 = 67,020 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016268 | CIF | Al7.728 B3 F0.14 H6 Mn1.272 Na0.674 O30.86 Si6 | R 3 m :H | 15.852; 15.852; 7.148 90; 90; 120 | 1555.55 | 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 mnelb3h, heated in air at 750 C for 30 h American Mineralogist, 2012, 97, 1402-1416 |
| 9016270 | CIF | Al Ge2 Li O6 | P 1 21/n 1 | 9.8976; 8.3985; 5.402 90; 110.64; 90 | 420.219 | Redhammer, G. J.; Nestola, F.; Miletich, R. Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry Note: Sample #LAF_L_tr American Mineralogist, 2012, 97, 1213-1218 |
| 9016271 | CIF | Al K0.987 O4 Si | P 3 1 c | 5.1588; 5.1588; 8.7383 90; 90; 120 | 201.398 | 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 = 200 K American Mineralogist, 2010, 95, 1027-1034 |
| 9016273 | CIF | Al Fe3 H36 O42 S6 | P -3 1 c | 10.91; 10.91; 17.0625 90; 90; 120 | 1758.83 | Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I. Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals Note: sample vulc1 The Canadian Mineralogist, 2010, 48, 323-333 |
| 9016275 | CIF | Ca0.16 Fe0.12 Mn0.16 Na6.42 O18 Si6 Sn0.04 Ti0.01 U0.02 Y0.14 Zr0.67 | R -3 m :H | 10.345; 10.345; 13.103 90; 90; 120 | 1214.4 | Grey, I. E.; Macrae, C. M.; Mumme, W. G.; Pring, A. Townendite, Na8ZrSi6O18, a new uranium-bearing lovozerite group mineral from the Ilimaussaq alkaline complex, Southern Greenland American Mineralogist, 2010, 95, 646-650 |
| 9016276 | CIF | Al7.194 B3 Ca0.641 F0.696 Fe0.021 H3.304 Li1.605 Mn0.18 Na0.288 O30.304 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, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9016278 | CIF | Al0.32 O2 Si0.68 | R -3 m :R | 9.4; 9.4; 9.4 94.3; 94.3; 94.3 | 823.197 | Dent, L. S.; Smith, J. V. Crystal structure of chabazite, a molecular sieve Note: extra-framework cations not located Nature, 1958, 181, 1794-1796 |
| 9016283 | CIF | Ca5 O12 P3 S0.5 | P -3 | 9.4619; 9.4619; 6.8342 90; 90; 120 | 529.877 | 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 |
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