Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
| 9016284 | CIF | Ca5.1 H3.92 Na3.62 O43.96 Si16 | P -1 | 9.576; 9.577; 16.438 85.85; 75.23; 60.142 | 1261.54 | Yakovenchuk, V. N.; Ivanyuk, G. Y.; Pakhomovsky, Y. A.; Selivanova, E. A.; Mikhailova, J. A.; Krivovichev, S. V.; Zolotarev, A. A.; Zalkind, O. A. Ellingsenite, Na5Ca6Si18O38(OH)13*6H2O, a new martinite-related mineral species from phonolite of the Aris alkaline complex, Namibia Note: This is reported as an incomplete structure The Canadian Mineralogist, 2011, 49, 1165-1173 |
| 9016285 | CIF | H5 O15 Si4 Sr3 Ti | P 1 21/m 1 | 10.958; 7.778; 7.799 90; 100.9; 90 | 652.727 | Mizota, T.; Komatsu, M.; Chihara, K. On the crystal structure of Sr3TiSi4O12(OH)*2H2O, a new mineral Note: paper is missing data for O8 Mineralogical Journal, 1973, 7, 302-305 |
| 9016286 | CIF | As3 Co | I m -3 | 8.2055; 8.2055; 8.2055 90; 90; 90 | 552.478 | 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 |
| 9016287 | CIF | Ca3 Mg4 O24 S6 | P 63 | 16.581; 16.581; 7.348 90; 90; 120 | 1749.53 | Krivovichev, S. V.; Shcherbakova, E. P.; Nishanbaev, T. P. The crystal structure of beta-CaMg2(SO4)3, a mineral phase from coal dumps of the Chelyabinsk coal basin, Russia The Canadian Mineralogist, 2010, 48, 1469-1475 |
| 9016288 | CIF | C1.38 H11.58 Ba0.27 Ca17.1 Ce3.06 Cl0.93 Fe6.3 Hf0.18 K4.32 Mn9.3 Na39.02 Nb2.34 O270.63 Si86.85 Sr3.15 Zr8.82 | R 3 m :H | 14.281; 14.281; 30.243 90; 90; 120 | 5341.62 | Rastsvetaeva, R. K.; Rozenberg, K. A.; Khomyakov, A. P. Crystal structure of a K analogue of Kentbrooksite Doklady Chemistry, 2005, 403, 148-151 |
| 9016289 | CIF | Fe1.1 Mg0.75 Mn0.15 O4 Si | P b n m | 4.838; 10.49; 6.136 90; 90; 90 | 311.406 | Hazen, R. M. Effects of temperature and pressure on the crystal structure of ferromagnesian olivine T = 900 deg C,P = 1 atm American Mineralogist, 1977, 62, 286-295 |
| 9016290 | CIF | Cd0.002 Cu0.005 Fe0.023 In0.002 S Zn0.968 | F -4 3 m | 5.4159; 5.4159; 5.4159 90; 90; 90 | 158.859 | Nitta, E.; Kimata, M.; Hoshino, M.; Echigo, T.; Hamasaki, S.; Nishida, N.; Shimizu, M.; Akasak, T. Crystal chemistry of ZnS minerals formed as high-temperature volcanic sublimates: matraite identical with sphalerite Journal of Mineralogical and Petrological Sciences, 2008, 103, 145-151 |
| 9016292 | CIF | Fe0.07 Mn0.18 Nb0.42 O4 Sc0.5 Sn0.2 Ta0.58 Ti0.05 | P 1 2/c 1 | 4.784; 5.693; 5.12 90; 91.15; 90 | 139.417 | Kolitsch, U.; Kristiansen, R.; Raade, G.; Tillmanns, E. Heftetjernite, a new scandium mineral from the Heftetjern pegmatite, Tordal, Norway European Journal of Mineralogy, 2010, 22, 309-316 |
| 9016293 | CIF | Fe0.999 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7547; 4.7547; 9.2893 90; 90; 90 | 210.005 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q1, treated at 600 C for 5 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9016294 | CIF | As0.04 B3 Ca2.53 F14 Fe0.83 Mn0.93 Na1.17 Nd7.53 O34 P0.7 Pb0.03 Si6.26 Th0.09 Ti0.02 Y3.72 | R 3 m :H | 10.7527; 10.7527; 27.4002 90; 90; 120 | 2743.59 | Raade, G.; Grice, J. D.; Erambert, M.; Kristiansson, P.; Witzke, T. Proshchenkoite-(Y) from Russia - a new mineral species in the vicanite group: Descriptive data and crystal structure Mineralogical Magazine, 2008, 72, 1071-1082 |
| 9016295 | CIF | Na5 O15 P3 V2 | C 1 m 1 | 6.3089; 20.10379; 5.1172 90; 91.134; 90 | 648.902 | Le Bail, A. On the structure of Na5V2P3O14*(H2O) _cod_database_code 1000145 Journal of Solid State Chemistry, 1993, 102, 281-282 |
| 9016296 | CIF | As3 Ba0.108 Fe4 H11.96 K0.138 Na0.75 O19.98 | P -4 3 m | 7.928; 7.928; 7.928 90; 90; 90 | 498.3 | 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 The Canadian Mineralogist, 2010, 48, 1477-1485 |
| 9016297 | CIF | Be O | P 63 m c | 2.6832; 2.6832; 4.3524 90; 90; 120 | 27.137 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: P = 3.8 GPa Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9016300 | CIF | Al4 Ca0.725 H1.98 Li0.105 Mg0.105 Na0.21 O12 Si2 | C 1 c 1 | 5.108; 8.844; 19.156 90; 95.48; 90 | 861.42 | Joswig, W.; Takeuchi, Y.; Fuess, H. Neutron-diffraction study on the orientation of hydroxyl groups in margarite Zeitschrift fur Kristallographie, 1983, 165, 295-303 |
| 9016301 | CIF | Fe O4 Sb2 | P 1 21/c 1 | 5.7792; 8.3134; 8.4545 90; 91.879; 90 | 405.976 | 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 = 4.2 GPa, this is denoted as Phase II Journal of Physics: Condensed Matter, 2006, 18, S1021-S1037 |
| 9016303 | CIF | H6 Mg3.864 O19 Si6 | P n c n | 13.3317; 27.049; 5.2694 90; 90; 90 | 1900.19 | Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G Variability in sepiolite: Diffraction studies Note: Sample GRA225 Note: T = 225 C American Mineralogist, 2011, 96, 1443-1454 |
| 9016304 | CIF | C H K O3 | P 1 21/a 1 | 15.1538; 5.6186; 3.6868 90; 104.356; 90 | 304.104 | 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 |
| 9016306 | CIF | Al3.6 H20.8 O34.4 Si8.4 Sr2.03 | R -3 m :R | 9.416; 9.416; 9.416 93.87; 93.87; 93.87 | 828.85 | 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: Sr-exchanged Zeolites, 1982, 2, 303-309 |
| 9016309 | CIF | As3 Fe4 O21.5 | P -4 3 m | 7.982; 7.982; 7.982 90; 90; 90 | 508.552 | 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 |
| 9016313 | CIF | Al2.1 Ca2 Fe0.12 H Mn0.78 O13 Si3 | P 1 21/m 1 | 8.8831; 5.6687; 10.1715 90; 115.45; 90 | 462.489 | 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 38 American Mineralogist, 2010, 95, 1237-1246 |
| 9016314 | CIF | Al0.56 Fe1.44 H14 Mn O16 P2 | P -1 | 10.277; 9.826; 7.205 90.077; 98.865; 118.442 | 629.77 | Grey, I. E.; Macrae, C. M.; Keck, E.; Birch, W. D. Aluminium-bearing strunzite derived from jahnsite at the Hagendorf-Sud pegmatite, Germany Mineralogical Magazine, 2012, 76, 1165-1174 |
| 9016315 | CIF | Ag0.32 Bi4 Cu1.68 Pb Se8 | P 1 21/m 1 | 12.952; 4.1523; 15.155 90; 108.931; 90 | 770.959 | Topa, D.; Makovicky, E.; Sejkora, J.; Dittrich, H. The crystal structure of watkinsonite, Cu2PbBi4Se8, from the Zalesi uranium deposit, Czech Republic The Canadian Mineralogist, 2010, 48, 1109-1118 |
| 9016316 | CIF | Al1.61 Fe0.388 Mg O4 | F d -3 m :2 | 8.1468; 8.1468; 8.1468 90; 90; 90 | 540.706 | 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 = 60 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016317 | 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 neutron at T = 130 K American Mineralogist, 2012, 97, 1574-1581 |
| 9016320 | CIF | Al1.614 Ca3 Fe1.386 O12 Sn1.362 Ti0.638 | I a -3 d | 12.524; 12.524; 12.524 90; 90; 90 | 1964.4 | Galuskina, I. O.; Galuskin, E. V.; Armbruster, T.; Lazic, B.; Dzierzanowski, P.; Gazeev, V. M.; Prusik, K.; Pertsev, N. N.; Winiarski, A.; Zadov, A. E.; Wrzalik, R.; Gurbanov, A. G. Bitikleite-(SnAl) and bitikleite-(ZrFe): New garnets from xenoliths of the Upper Chegem volcanic structure, Kabardino-Balkaria, Northern Caucasus, Russia American Mineralogist, 2010, 95, 959-967 |
| 9016323 | CIF | C H2 Cu O10 Pb3 Te | P c a 21 | 10.6522; 9.163; 9.6011 90; 90; 90 | 937.126 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J. Lead-tellurium oxysalts from Otto Mountain near Baker, California: IX. Agaite, Pb3Cu2+Te6+O5(OH)2(CO3), a new mineral with CuO5-TeO6 polyhedral sheets American Mineralogist, 2013, 98, 512-517 |
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