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