Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9014265 | CIF | As Cu S | P n m a | 11.356; 3.754; 5.453 90; 90; 90 | 232.464 | Marumo, F.; Nowacki, W. The crystal structure of lautite and of sinnerite, a new mineral from the Lengenbach Quarry Schweizerische Mineralogische und Petrographische Mitteilungen, 1964, 44, 439-454 |
| 9014266 | CIF | Al2 Ca0.375 H4 O10 Si2 Sr0.625 | P 1 21/m 1 | 5.3849; 13.2377; 5.8489 90; 124.35; 90 | 344.221 | Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU47 American Mineralogist, 2010, 95, 724-735 |
| 9014267 | CIF | Be O | P 63 m c | 2.6776; 2.6776; 4.3454 90; 90; 120 | 26.981 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: P = 5.0 GPa Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9014269 | CIF | Cr2 O3 | R -3 c :H | 4.9233; 4.9233; 13.4953 90; 90; 120 | 283.286 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 40.6 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9014270 | CIF | Fe9.966 Na1.608 O17.97 Zn0.99 | R -3 m :H | 5.9401; 5.9401; 35.731 90; 90; 120 | 1091.85 | Nicolopoulos, S.; Vincent, H.; Anne, M.; Joubert, J. Variation in crystal structure, ionic conductivity and magnetic properties with the water uptake of a new hydrated sodium beta ferrite _cod_database_code 1008479 Journal of Solid State Chemistry, 1990, 87, 298-307 |
| 9014271 | CIF | Al2 Ca0.07 F2 Fe0.04 H10 Mg0.01 Mn0.87 O13 P2 Zn0.01 | P -1 | 9.887; 9.796; 6.054 92.7; 99.83; 97.1 | 571.913 | Birch, W. D.; Grey, I. E.; Mills, S. J.; Pring, A.; Bougerol, C.; Ribabldi-Tunnicliffe A; Wilson, N. C.; Keck, E. Nordgauite, MnAl2(PO4)2(F,OH)2*5H2O, a new mineral from the Hagendorf-Sud pegmatite, Bavaria, Germany: description and crystal structure Mineralogical Magazine, 2011, 75, 269-278 |
| 9014273 | CIF | Ba O3 Ti | P 4 m m | 3.986; 3.986; 4.026 90; 90; 90 | 63.966 | Shirane, G.; Danner, H.; Pepinsky, R. Neutron diffraction study of orthorhombic BaTiO3 Note: tetragonal structure Physical Review, 1957, 105, 856-860 |
| 9014275 | CIF | Ca3 O9 Si2 Ti0.14 Zr0.86 | P 1 21/a 1 | 10.432; 10.163; 7.356 90; 90.96; 90 | 779.777 | Biagioni, C.; Bonaccorsi, E.; Perchiazzi, N.; Merlino, S. Single crystal refinement of the structure of baghdadite from Fuka (Okayama Prefecture, Japan) Periodico di Mineralogia, 2010, 79, 1-9 |
| 9014276 | CIF | Ca3.44 Ce0.5 F2.96 Fe0.02 Gd0.04 La0.16 Mn0.02 Na2.3 Nb0.34 Nd0.24 O15.04 Pr0.06 Si4 Sm0.04 Sr0.02 Ti0.6 Y0.08 Zr0.06 | P 1 21/c 1 | 7.4414; 5.6628; 18.8315 90; 101.383; 90 | 777.934 | Camara, F.; Sokolova, E.; Hawthorne, F. C. From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample 2909 Mineralogical Magazine, 2011, 75, 2755-2774 |
| 9014277 | CIF | Cu2.937 H26 O34 S2 U4 | P -1 | 8.6744; 8.8692; 10.009 72.105; 70.544; 76.035 | 682.606 | Plasil, J.; Fejfarova, K.; Wallwork, K. S.; Dusek, M.; Skoda, R.; Sejkora, J.; Cejka, J.; Veselovsky, F.; Hlousek, J.; Meisser, N.; Brugger, J. Crystal structure of pseudojohannite, with a revised formula, Cu3(OH)2[(UO2)4O4(SO4)2](H2O)12 American Mineralogist, 2012, 97, 1796-1803 |
| 9014278 | CIF | H6 Mg3.592 O19 Si6 | P n c n | 13.2608; 27.0559; 5.2671 90; 90; 90 | 1889.74 | Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G Variability in sepiolite: Diffraction studies Note: Sample BAT225 Note: T = 225 C American Mineralogist, 2011, 96, 1443-1454 |
| 9014279 | CIF | Fe0.09 Mn0.88 Nb0.28 O6 Ta1.72 | P b c n | 14.3196; 5.7413; 5.0624 90; 90; 90 | 416.196 | dos Santos, C. A.; Zawislak, L. I.; Kinast, E. J.; Antonietti, V.; da Cunha, J. B. M. Crystal chemistry and structure of the orthorhombic (Fe,Mn)(Ta,Nb)2O6 family of compounds Note: Sample Mn0.88Fe0.09Ta1.72Nb0.28O6 Brazilian Journal of Physics, 2001, 31, 616-631 |
| 9014280 | CIF | Fe5 Si3 | P 63/m c m | 6.7472; 6.7472; 4.716 90; 90; 120 | 185.931 | Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A. Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 1.8 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9014282 | CIF | Mo O3 | P b n m | 3.9628; 13.855; 3.6964 90; 90; 90 | 202.949 | Kihlborg, L. Least squares refinement of the crystal structure of molybdenum trioxide Arkiv for Kemi, 1963, 21, 357-364 |
| 9014283 | CIF | Al2.36 Ca2 Cr0.04 Fe0.1 H3 Mg0.47 Mn0.01 O14 Si3 Ti0.02 | C 1 2/m 1 | 19.1129; 5.8963; 8.818 90; 97.449; 90 | 985.361 | Hamada, M.; Akasaka, M.; Seto, S.; Makino, K. Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan Sample: ocp1211 American Mineralogist, 2010, 95, 1294-1304 |
| 9014284 | CIF | Br2 Fe | P -3 m 1 | 3.772; 3.772; 6.223 90; 90; 120 | 76.679 | Wilkinson, M. K.; Cable, J. W.; Wollan, E. O.; Koehler, W. C. Neutron diffraction investigations of the magnetic ordering in FeBr2, CoBr2, FeCl2, and CoCl2 Physical Review, 1959, 113, 497-507 |
| 9014285 | CIF | Fe | F m -3 m | 3.514; 3.514; 3.514 90; 90; 90 | 43.392 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 18.69 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9014287 | CIF | Fe | F m -3 m | 3.544; 3.544; 3.544 90; 90; 90 | 44.512 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 11.48 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
| 9014290 | CIF | As H10 N O9 U | P 4/n c c :2 | 7.189; 7.189; 18.191 90; 90; 90 | 940.142 | Ross, M.; Evans, H. T. Studies of the torbernite minerals (I): The crystal structure of abernathyite and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O Sample : Abernathyite - NH4 American Mineralogist, 1964, 49, 1578-1602 |
| 9014291 | CIF | Al1.61 Fe0.388 Mg O4 | F d -3 m :2 | 8.148; 8.148; 8.148 90; 90; 90 | 540.945 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 97,260 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014292 | CIF | Fe0.195 Li0.748 Mn0.8 O4 P | P b n m | 4.7651; 10.3379; 6.0595 90; 90; 90 | 298.498 | Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F. A structural study of the lithiophilite-sicklerite series Sample 5, deep orange The Canadian Mineralogist, 2012, 50, 843-854 |
| 9014293 | CIF | H6 Na O9 P U | P 4/n c c :2 | 6.9935; 6.9935; 17.5101 90; 90; 90 | 856.402 | Mills, S. J.; Kampf, A. R.; Birch, W. D. The crystal structure of metanatroautunite, Na[(UO2)(PO4)](H2O)3, from the Lake Boga Granite, Victoria, Australia Note: z-coordinate of U changed from .40959 to match reported bond lengths American Mineralogist, 2012, 97, 735-738 |
| 9014294 | CIF | Ca4 F3 Na2 O15 Si4 Y Zr | P -1 | 11.012; 10.342; 7.359 89.92; 109.21; 90.06 | 791.421 | Merlino, S.; Perchiazzi, N. The crystal structure of hiortdahlite II Mineralogy and Petrology, 2010, 37, 25-35 |
| 9014297 | CIF | Mg2 O4 Si | P n m a | 10.20141; 5.98348; 4.75534 90; 90; 90 | 290.266 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9014298 | CIF | Ca0.498 Eu0.299 F3 Na0.558 Y0.198 | P 63/m | 6.0403; 6.0403; 3.5899 90; 90; 120 | 113.431 | Frank-Kamenetskaya, O. V.; Fundamenskii, V. S.; Tsytsenko, A. K.; Frank-Kamenetskii, V. A. Crystal structure of gagarinite from precision X-ray data: Structural changes in the NaCaTRF6-Na1.5TR1.5F6 series Crystallography Reports, 1994, 39, 923-928 |
| 9014301 | CIF | H0.5 K1.5 Mg2 O7 Si2 | P 63/m c m | 5.0646; 5.0646; 13.2379 90; 90; 120 | 294.063 | Welch, M. D.; Konzett, J.; Bindi, L.; Kohn, S. C.; Frost, D. J. New structural features of the high-pressure synthetic sheet-disilicate Phase-X, K(2-x)Mg2Si2O7Hx American Mineralogist, 2012, 97, 1849-1857 |
| 9014304 | CIF | Cu3 H6 O11 V2 | C 1 2/m 1 | 10.657; 5.887; 7.228 90; 95.035; 90 | 451.7 | Yoshida, H.; Yamaura, J.; Isobe, M.; Nilsen, G. J.; Hiroi, Z. Orbital Switching in a Frustrated Magnet Nature Communications, 2012, 3, 860-865 |
| 9014305 | CIF | Ag As0.929 Hg S3 Sb0.071 | A 1 a 1 | 7.756; 11.334; 6.665 90; 115.233; 90 | 529.992 | Pervukhina, N. V.; Borisov, S. V.; Magarill, S. A.; Vasil'ev, V. I.; Kuratieva, N. V. Redetermination and crystallographic analysis of the structure of Sb-containing laffittite AgHg(As,Sb)S3 from Chauvai (Kyrgyzstan) Journal of Structural Chemistry, 2010, 51, 683-688 |
| 9014306 | CIF | Au Sb2 | P a -3 | 6.6583; 6.6583; 6.6583 90; 90; 90 | 295.182 | Furuseth, S.; Selte, K.; Kjekshus, A. Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2 Acta Chemica Scandinavica, 1965, 19, 735-741 |
| 9014308 | CIF | Al6 Ca8.5 Na O18 | P b c a | 10.875; 10.859; 15.105 90; 90; 90 | 1783.77 | Nishi, F.; Takeuchi, Y. The Al6O18 rings of tetrahedra in the structure of Ca8.5NaAl6O18 Acta Crystallographica, Section B, 1975, 31, 1169-1173 |
| 9014309 | CIF | Fe1.001 Nb0.13 O6 Ta1.869 | P 42/m n m | 4.7531; 4.7531; 9.2873 90; 90; 90 | 209.818 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim9_q0, untreated Mineralogical Magazine, 2006, 70, 319-328 |
| 9014312 | CIF | C H2.5 Cl1.5 O14.5 Pb6 Te2 | C 1 2/c 1 | 21.305; 11.059; 7.564 90; 101.112; 90 | 1748.76 | Kampf, A. R.; Housley, R. M.; Marty, J. Lead-tellurium oxysalts from Otto Mountain near Baker, California: III. Thorneite, Pb6(Te6+2O10)(CO3)Cl2(H2O), the first mineral with edge-sharing octahedral tellurate dimers American Mineralogist, 2010, 95, 1548-1553 |
| 9014315 | CIF | Ni Ti | P -3 | 7.341; 7.341; 5.26996 90; 90; 120 | 245.951 | Sitepu, H. Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Aged Powder Diffraction, 2009, 24, 315-326 |
| 9014317 | CIF | Al7.296 B3 Ca0.682 F0.669 Fe0.045 H3.331 Li1.626 Mn0.027 Na0.248 O30.331 Pb0.009 Si6 Ti0.003 | R 3 m :H | 15.8343; 15.8343; 7.1012 90; 90; 120 | 1541.91 | Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L19, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014318 | CIF | Ca0.82 F1.25 Mn0.79 Na1.18 O7.75 Si2 Ti0.477 Zr0.733 | P 1 21/a 1 | 10.8475; 9.9364; 7.1488 90; 108.392; 90 | 731.175 | Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N. Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea The Canadian Mineralogist, 2012, 50, 593-609 |
| 9014319 | CIF | Ca2 Fe2 O5 | P n m a | 5.3422; 14.5385; 5.5277 90; 90; 90 | 429.323 | Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 6.326 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9014320 | CIF | Mn2 O4 Si | P n m a | 10.60016; 6.25753; 4.90338 90; 90; 90 | 325.245 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1 Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9014322 | CIF | C6 H34.56 Ca4 F2 Mg O39.28 U2 | P -1 | 13.569; 13.419; 11.622 115.82; 107.61; 92.84 | 1774.63 | Mereiter, K. The crystal structure of albrechtschraufite, MgCa4F2[UO2(CO3)3]2*17-18H2O Mineralogy and Petrology, 2013, pre-print |
| 9014323 | CIF | Fe2 K Li Na2 O24 Si8 Ti2 | C 1 2/c 1 | 16.46; 12.5; 10.01 90; 115.43; 90 | 1860.01 | Cannillo, E.; Mazzi, F.; Rossi, G. The crystal structure of neptunite Acta Crystallographica, 1966, 21, 200-208 |
| 9014324 | CIF | Al0.875 Cr0.125 Nb O4 | C 1 2/m 1 | 12.1724; 3.755; 6.4957 90; 107.67; 90 | 282.894 | Ardit, M.; Dondi, M.; Cruciani, G. Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N12 American Mineralogist, 2012, 97, 910-917 |
| 9014326 | CIF | Cu1.48 Fe0.54 K0.737 S2 | I 4/m m m | 3.846; 3.846; 13.308 90; 90; 90 | 196.848 | Pekov, I. V.; Zubkova, N. V.; Lisitsyn, D. V.; Pushcharovsky, D. Y. Crystal chemistry of murunskite Doklady Earth Sciences, 2009, 424, 139-141 |
| 9014327 | CIF | Ge O2 | P 32 2 1 | 4.831; 4.831; 5.568 90; 90; 120 | 112.539 | Yamanaka, T.; Ogata, K. Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 4.58 GPa T = 293 K Note: quartz structure Journal of Applied Crystallography, 1991, 24, 111-118 |
| 9014330 | CIF | Hg I2 | P 42/n m c :2 | 4.365; 4.365; 12.389 90; 90; 90 | 236.05 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 200 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
| 9014331 | CIF | Ca2.5 O9 Si3 | I 1 2/m 1 | 5.593; 3.645; 22.45599 90; 96.97; 90 | 454.415 | Hoffmann, C.; Armbruster, T. Clinotobermorite, Ca5(Si3O8(OH))2*4(H2O) - Ca5(Si6O17)*5(H2O), a natural C-S-H(I) type cement mineral: determination of the substructure _cod_database_code 1000046 Zeitschrift fur Kristallographie, 1997, 212, 863-873 |
| 9014333 | CIF | Al3 Bi0.49 Ca0.23 H6 O14 P1.8 Si0.2 Sr0.28 | R -3 m :H | 7.0059; 7.0059; 16.3431 90; 90; 120 | 694.693 | Mills, S. J.; Kampf, A. R.; Raudsepp, M.; Birch, W. D. The crystal structure of waylandite from Wheal Remfry, Cornwall, United Kingdom Mineralogy and Petrology, 2010, 100, 249-253 |
| 9014334 | CIF | Al1.61 Fe0.39 Mg O4 | F d -3 m :2 | 8.1472; 8.1472; 8.1472 90; 90; 90 | 540.786 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 9 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014336 | CIF | Al0.761 Fe3.239 H36 O42 S6 | P -3 1 c | 10.937; 10.937; 17.0813 90; 90; 120 | 1769.49 | Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I. Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals The Canadian Mineralogist, 2010, 48, 323-333 |
| 9014338 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4/n c c :2 | 7.39425; 7.39425; 15.8621 90; 90; 90 | 867.259 | Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 300 K European Journal of Mineralogy, 2007, 19, 189-200 |
| 9014339 | CIF | Al2 Cu0.69 Mg0.31 O4 | F d -3 m :2 | 8.0857; 8.0857; 8.0857 90; 90; 90 | 528.631 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl90dw American Mineralogist, 2012, 97, 1821-1827 |
| 9014340 | CIF | C3 K4 O11 U | C 1 2/c 1 | 10.238; 9.193; 12.211 90; 95.108; 90 | 1144.71 | Skala, R.; Ondrus, P.; Veselovsky, F.; Cisarova, I.; Hlousek, J. Agricolaite, a new mineral of uranium from Jachymov, Czech Republic Mineralogy and Petrology, 2011, 103, 169-175 |
| 9014341 | CIF | Ca H7 O15 Si4 V | P c m n | 9.794; 13.67; 9.643 90; 90; 90 | 1291.04 | Ishida, N.; Kimata, M.; Nishida, N.; Hatta, T.; Shimizu, M.; Akasaka, T. Polymorphic relation between cavanite and pentagonite: genetic implications of oxonium ion in cavansite Journal of Mineralogical and Petrological Sciences, 2009, 104, 241-252 |
| 9014342 | CIF | O4 Se Sr | P 1 21/n 1 | 7.101; 7.34; 6.874 90; 103.48; 90 | 348.412 | Effenberger, H.; Pertlik, F. Four monazite type structures: comparison of SrCrO4, SrSeO4, PbCrO4 (crocoite), and PbSeO4 Zeitschrift für Kristallographie, 1986, 176, 75-83 |
| 9014344 | CIF | C Ca O3 | R -3 c :H | 4.9761; 4.9761; 17.4163 90; 90; 120 | 373.478 | Antao, S. M.; Hassan, I. Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 644 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9014345 | CIF | H10.3 K2.98 Na1.22 Nb2.2 O31.15 Si8 Ti1.8 | C 1 m 1 | 14.692; 14.164; 7.859 90; 117.87; 90 | 1445.74 | Rastsvetaeva, R. K.; Tamazyan, R. A.; Pushcharovskii D Yu; Nadezhina, T. N.; Voloshin, A. V. K-nenadkevichite, a new representative of the nenadkevichite-labuntsovite series Crystallography Reports, 1994, 39, 908-914 |
| 9014346 | CIF | Be O | P 63 m c | 2.6983; 2.6983; 4.3776 90; 90; 120 | 27.602 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: Crystal no. 1 in cell Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9014348 | CIF | Na Nb O3 | P b c m | 5.5007; 5.5621; 15.5373 90; 90; 90 | 475.371 | Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G. Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = .66, Na2Nb2O6 Inorganic Materials, 2004, 40, 1324-1330 |
| 9014351 | CIF | Al0.55 Ca2 Fe1.45 O5 | I 2 m b | 5.3394; 14.4853; 5.5584 90; 90; 90 | 429.902 | Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 3.21 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9014352 | CIF | Ca Na2 O8 S2 | C 1 2/c 1 | 10.158; 8.333; 8.551 90; 112.333; 90 | 669.521 | Cocco, G.; Corazza, E.; Sabelli, C. The crystal structure of glauberite, CaNa2(SO4)2 Zeitschrift fur Kristallographie, 1965, 122, 175-184 |
| 9014354 | CIF | Fe0.183 Li0.86 Mn0.8 O4 P | P b n m | 4.734; 10.423; 6.094 90; 90; 90 | 300.693 | Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F. A structural study of the lithiophilite-sicklerite series Sample 2, light yellow The Canadian Mineralogist, 2012, 50, 843-854 |
| 9014355 | CIF | C Ca O3 | P m c n | 4.9653; 8.0088; 5.7847 90; 90; 90 | 230.035 | Antao, S. M.; Hassan, I. Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 235 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9014356 | CIF | As2.874 Ca2.01 Mg1.758 Mn0.242 Na0.99 O12 V0.126 | I a -3 d | 12.3404; 12.3404; 12.3404 90; 90; 90 | 1879.26 | Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097 |
| 9014357 | CIF | As0.08 Ca0.15 Ce0.15 Nd0.15 O4 Th0.15 V0.92 Y0.4 | I 41/a m d :2 | 7.2591; 7.2591; 6.4255 90; 90; 90 | 338.589 | Cadoni, M.; Ciriotti, M. E.; Ferraris, G. Wakefieldite-(Y) from Montaldo di Mondovi (Italy): new data and crystal structure Rendiconti Lincei Scienze Fisiche e Naturali, 2011, 22, 307-314 |
| 9014358 | CIF | Al7.371 B1.967 Fe0.605 Mg0.24 O18.484 Si1.82 | P -1 | 7.9696; 8.1559; 11.3607 110.364; 110.881; 84.67 | 646.409 | Grew, E. S.; Armbruster, T.; Lazic, P.; Yates, M. G.; Medenbach, O.; Huijsmans, J. P. P. Werdingite from a pegmatite at Almgjotheii, Rogaland, Norway: The role of iron in a borosilicate with a mullite-type structure European Journal of Mineralogy, 2011, 23, 577-589 |
| 9014359 | CIF | Al2 Ca3 O6 | P m -3 m | 7.624; 7.624; 7.624 90; 90; 90 | 443.148 | Steele, F. A.; Davey, W. P. The crystal structure of tricalcium aluminate Journal of the American Chemical Society, 1929, 51, 2283-2293 |
| 9014362 | CIF | Ca3 O5 Si | P -1 | 11.67; 14.24; 13.72 105.5; 94.33; 90 | 2190.32 | Golovastikov, N.; Matveeva, R.; Belov, N. Crystal structure of tricalcium silicate, 3CaO.SiO2 = C3S Kristallografiya, 1975, 20, 721-729 |
| 9014363 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.4848; 11.4848; 11.4848 90; 90; 90 | 1514.85 | Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 572.9 K American Mineralogist, 2011, 96, 1593-1605 |
| 9014364 | CIF | Ca3 O8 V2 | C 1 2/m 1 | 9.6715; 5.43276; 7.0713 90; 116.949; 90 | 331.201 | Grzechnik, A. Crystal structure of Ca3(VO4)2 synthesized at 11 GPa and 1373 K Solid State Sciences, 2002, 4, 523-524 |
| 9014365 | CIF | Fe1.001 Nb0.13 O6 Ta1.869 | P 42/m n m | 4.7571; 4.7571; 9.2189 90; 90; 90 | 208.624 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim23_q2, treated at 750 C for 190 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9014367 | CIF | C Fe O3 | R -3 c :H | 4.3462; 4.3462; 12.519 90; 90; 120 | 204.795 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P27-2, P = 55.0 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9014368 | CIF | Al8.922 B6.15 Ca0.01 F0.26 Fe1.338 H8.22 K0.01 Li0.42 Mn0.798 Na0.56 O42.74 Si5.568 Ti0.018 Zn0.06 | R 3 m :H | 15.883; 15.883; 7.1093 90; 90; 120 | 1553.18 | Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E. Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample MAG European Journal of Mineralogy, 2012, 24, 695-715 |
| 9014369 | CIF | Na11 O14 Si4 Ti4 | P 42/m b c | 10.6772; 10.6772; 11.885 90; 90; 90 | 1354.92 | Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V. Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 573 K dehydrated sample Chemistry of Materials, 2010, 22, 4222-4231 |
| 9014370 | CIF | H2 Mg3 O10 S2 | I 41/a m d :2 | 5.254; 5.254; 12.971 90; 90; 90 | 358.058 | Yamnova, N. A.; Pushcharovskii, D. Y.; Apollonov, V. N. Crystalline structure of a new natural Mg-sulfate Mg3[SO4]2(OH)2 Vestnik Moskovskogo Universiteta Geologiya, 1989, 44, 76-78 |
| 9014371 | CIF | Ca2 Fe2 O5 | P n m a | 5.3246; 14.4819; 5.511 90; 90; 90 | 424.955 | Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 8.167 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9014372 | CIF | Al6 B3 F Fe3 Na O30 Si6 | R 3 m :H | 15.869; 15.869; 7.188 90; 90; 120 | 1567.61 | Barton, R. Refinement of the crystal structure of buergerite and the absolute orientation of tourmalines Acta Crystallographica, Section B, 1969, 25, 1524-1533 |
| 9014374 | CIF | Al F9 H2 O Pb3 | P -1 | 5.6637; 5.8659; 12.7041 98.725; 94.02; 90.683 | 416.045 | Kampf, A. R.; Yang, H.; Downs, R. T.; Pinch, W. W. The crystal structures and Raman spectra of aravaipaite and calcioaravaipaite American Mineralogist, 2011, 96, 402-407 |
| 9014375 | CIF | Ca0.62 Cs0.04 F0.35 Fe3.15 H4.65 K0.76 Mg0.18 Mn2.96 Na0.5 Nb0.3 O30.65 Rb0.18 Si8 Sn0.12 Ti1.58 Zn0.01 Zr0.01 | P -1 | 5.3868; 11.9141; 11.7171 112.978; 94.641; 103.189 | 661.831 | Stepanov, A. V.; Bekenova, G. K.; Levin, V. L.; Sokolova, E.; Hawthorne, F. C.; Dobrovol'skaya, E. A. Tarbagataite, (K,_)2(Ca,Na)(Fe2+,Mn)7Ti2(Si4O12)2O2(OH)4(OH,F), a new astrophyllite-group mineral species from the Verkhnee Espe Deposit, Akjailyautas Mountains, Kazakhstan: Description and crystal structure The Canadian Mineralogist, 2012, 50, 159-168 |
| 9014376 | CIF | Ca0.53 O2 U0.47 | F m -3 m | 5.3813; 5.3813; 5.3813 90; 90; 90 | 155.834 | Galuskin, E. V.; Armbruster, T.; Galuskina, I. O.; Lazic, B.; Winiarski, A.; Gazeev, V. M.; Dzierzanowski, P.; Zadov, A. E.; Pertzev, N. N.; Wrzalik, R.; Gurbanov, A. G.; Janeczek, J. Vorlanite (Ca(U6+)O4 - A new mineral from the Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia Note: fluorite structure American Mineralogist, 2011, 96, 188-196 |
| 9014377 | CIF | Ru S2 | P a -3 | 5.57; 5.57; 5.57 90; 90; 90 | 172.809 | Oftedal, I. Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit Zeitschrift fur Physikalische Chemie, 1928, 135, 291-299 |
| 9014378 | CIF | Al6.24 As0.13 B H0.52 O17.499 Sb0.343 Si2.499 Ta0.248 | P n m a | 4.695; 11.906; 20.38 90; 90; 90 | 1139.21 | Kazantsev, S. S.; Zubkova, N. V.; Voloshin, A. V. Refinement of composition and structure of holtite I Crystallography Reports, 2006, 51, 412-413 |
| 9014379 | CIF | Al2 Ca0.034 H4 O10 Si2 Sr0.966 | P 1 21/m 1 | 5.4205; 13.2735; 5.8573 90; 124.43; 90 | 347.6 | Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU92 American Mineralogist, 2010, 95, 724-735 |
| 9014381 | CIF | Al7.194 B3 Ca0.563 F0.693 Fe0.015 H3.306 Li1.461 Mn0.33 Na0.354 O30.306 Pb0.026 Si6 | R 3 m :H | 15.8529; 15.8529; 7.1101 90; 90; 120 | 1547.47 | Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L2, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014382 | CIF | Cl6 K3 Mn Na | R -3 c :H | 12.0966; 12.0966; 13.9555 90; 90; 120 | 1768.49 | Kampf, A. R.; Mills, S. J.; Nestola, F.; Ciriotti, M. E.; Kasatkin, A. V. Saltonseaite, K3NaMn2+Cl6, the Mn analogue of rinneite from the Salton Sea, California American Mineralogist, 2012, 98, 231-235 |
| 9014384 | CIF | Ba Cu2 O7 Si2 | P n m a | 6.8556; 13.1725; 6.8901 90; 90; 90 | 622.213 | Yang, H.; Downs, R. T.; Evans, S. H.; Pinch, W. W. Scottyite, the natural analog of synthetic BaCu2Si2O7, a new mineral from the Wessels mine, Kalahari Manganese Fields, South Africa American Mineralogist, 2013, 98, 478-484 |
| 9014385 | CIF | As4 Ca Cu10 H10 O34 Te4 | P -1 | 8.9925; 10.1291; 8.9971 102.668; 92.49; 70.434 | 752.989 | Kampf, A. R.; Mills, S. J. The role of hydrogen in tellurites: crystal structure refinements of juabite, poughite and rodalquilarite Journal of Geosciences, 2011, 56, 235-247 |
| 9014386 | CIF | Al1.461 Fe0.54 Mg1.001 O4 | F d -3 m :2 | 8.1701; 8.1701; 8.1701 90; 90; 90 | 545.359 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 52,620 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014388 | CIF | Ba O9 Si3 Ti | P -6 c 2 | 6.643; 6.643; 9.766 90; 90; 120 | 373.229 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 0.0001 GPa American Mineralogist, 2012, 97, 1749-1763 |
| 9014389 | CIF | Al6.668 As0.087 B O17.898 Sb0.022 Si2.89 | P n m a | 4.6901; 11.7874; 20.1872 90; 90; 90 | 1116.03 | Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A. The crystal chemistry of As- and Sb-bearing dumortierite Sample: D27 The Canadian Mineralogist, 2012, 50, 855-872 |
| 9014390 | CIF | C H30 Ca3 O25 S Si | P 63 | 11.036; 11.036; 10.3845 90; 90; 120 | 1095.32 | Gatta, G. D.; McIntyre, G. J.; Swanson, J. G.; Jacobsen, S. D. Minerals in cement chemistry: A single-crystal neutron diffraction and Raman spectroscopic study of thaumasite, Ca3Si(OH)6(CO3)(SO4)*12H2O Note: T = 22.5 K American Mineralogist, 2012, 97, 1060-1069 |
| 9014392 | CIF | Ca N2 O10 | P 1 21/n 1 | 6.277; 9.157; 14.484 90; 98.6; 90 | 823.158 | Ribar, B.; Divjakovic, V.; Herak, R.; Prelesnik, B. A new crystal structure study of Ca(NO3)2*(H2O) Acta Crystallographica, Section B, 1973, 29, 1546-1548 |
| 9014394 | CIF | Al6.809 As0.099 B O17.876 Sb0.025 Si2.876 | P n m a | 4.6871; 11.7901; 20.1825 90; 90; 90 | 1115.31 | Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A. The crystal chemistry of As- and Sb-bearing dumortierite Sample: D31 The Canadian Mineralogist, 2012, 50, 855-872 |
| 9014395 | CIF | Ru Se2 | P a -3 | 5.9336; 5.9336; 5.9336 90; 90; 90 | 208.908 | Lutz, H. D.; Muller, B.; Schmidt, T.; Stingl, T. Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2 Acta Crystallographica, Section C, 1990, 46, 2003-2005 |
| 9014396 | CIF | Fe Nb0.2 O6 Ta1.8 | P 42/m n m | 4.7515; 4.7515; 9.254 90; 90; 90 | 208.925 | von Heidenstam, O. Neutron and X-ray diffraction studies on tapiolite and some synthetic substances of trirutile structure Note: Crystal A Note: Curran spectrometer Arkiv for Kemi, 1968, 28, 375-387 |
| 9014397 | CIF | Al0.107 Fe0.893 H10.404 K0.399 N2.601 O12 S3 | R 3 c :H | 15.2171; 15.2171; 8.9323 90; 90; 120 | 1791.26 | Demartin, F.; Gramaccioli, C. M.; Campostrini, I. Pyracmonite, (NH4)3Fe(SO4)3, a new ammonium iron sulfate from La Fossa crater, Vulcano, Aeolian Islands, Italy The Canadian Mineralogist, 2010, 48, 307-313 |
| 9014399 | CIF | Ba2 Cu O7 Si2 | P -4 21 m | 8.284; 8.284; 5.313 90; 90; 90 | 364.603 | Du, J. M.; Zeng, H. Y.; Song, L. J.; Dong, Z. C.; Ma, H. W.; Guo, G. C.; Huang, J. S. Synthesis and structure of a new polymorph Ba2CuSi2O7 Note: known as beta-Ba2CuSi2O7 Jiegou Huaxue, 2003, 22, 33-36 |
| 9014400 | CIF | Al1.884 Be2.859 Cu0.141 Fe0.116 H0.88 Li0.12 O18.44 Si6 | P 6/m c c | 9.2502; 9.2502; 9.2184 90; 90; 120 | 683.107 | Adamo, I.; Gatta, G. D.; Rotiroti, N.; Diella, V.; Pavese, A. Gemmological investigation of a synthetic blue beryl: a multi-methodological study Note: Sample: M2-1 Mineralogical Magazine, 2008, 72, 799-808 |
| 9014401 | CIF | S | P 32 2 1 | 7.0897; 7.0897; 4.30238 90; 90; 120 | 187.282 | Crichton, W. A.; Vaughan, G. B. M.; Mezouar, M. In situ structure solution of helical sulphur at 3 GPa and 400 deg C P = 3 GPa, T = 400 C Zeitschrift fur Kristallographie, 2001, 216, 417-419 |
| 9014404 | CIF | Fe Si2 | P 4/m m m | 2.696; 2.696; 5.147 90; 90; 90 | 37.411 | Li, G.; Bai, W.; Shi, N.; Fang, Q.; Xiong, M.; Yang, J.; Ma, Z.; Rong, H. Linzhiite, FeSi2, a redefined and revalidated new mineral species from Luobusha, Tibet, China European Journal of Mineralogy, 2012, 24, 1047-1052 |
| 9014408 | CIF | Al2 Ca0.971 H4 O10 Si2 Sr0.029 | C m c m | 5.8417; 8.7904; 13.1345 90; 90; 90 | 674.468 | Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU77 American Mineralogist, 2010, 95, 724-735 |
| 9014409 | CIF | Al1.609 Fe0.388 Mg1.001 O4 | F d -3 m :2 | 8.1482; 8.1482; 8.1482 90; 90; 90 | 540.985 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 339,180 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014410 | CIF | Ca3.4 O70.76 Si24 | I m m a | 19.949; 23.445; 12.607 90; 90; 90 | 5896.35 | Arletti, R.; Quartieri, S.; Vezzalini, G. Elastic behavior of zeolite boggsite in silicon oil and aqueous medium: A case of high-pressure-induced over hydration, Sample: P = 3.6 GPa Note: assignment of site chemistry does not match chemical analysis American Mineralogist, 2010, 95, 1247-1256 |
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