Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
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