Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9013381 | CIF | Cl6 H8 N2 Sn | F m -3 m | 10.064; 10.064; 10.064 90; 90; 90 | 1019.32 | Demartin, F.; Campostrini, I.; Gramaccioli, C. M. Panichiite, natural ammonium hexachlorostannate(IV), (NH4)2SnCl6, from La Fossa crater, Vulcano, Aeolian Islands, Italy The Canadian Mineralogist, 2009, 47, 367-372 |
| 9013382 | CIF | Bi Br0.558 Cl5.322 Tl3 | C 1 c 1 | 26.686; 15.127; 13.014 90; 108.11; 90 | 4993.23 | Demartin, F.; Gramaccioli, C. M.; Campostrini, I. Steropesite, Tl3BiCl6, a new thallium bismuth chloride from La Fossa crater, Vulcano, Aeolian Islands, Italy Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy The Canadian Mineralogist, 2009, 47, 373-380 |
| 9013383 | CIF | Ca O3 Ti | P b n m | 5.38095; 5.4371; 7.64208 90; 90; 90 | 223.583 | Knight, K. S. Parameterization of the crystal structures of centerosymmetric zone-boundary-tilted perovskites: An analysis in terms of symmetry-adapted basis-vecotrs of the cubic aristotype phase The Canadian Mineralogist, 2009, 47, 381-400 |
| 9013384 | CIF | Al2.901 Fe0.113 K0.811 Mg1.986 Na0.052 O30 Si12 | P 6/m c c | 10.0946; 10.0946; 14.3311 90; 90; 120 | 1264.7 | Balassone, G.; Mormone, A.; Rossi, M.; Bernardi, A.; Fisch, M.; Armbruster, T.; Malsy, K.; Berger, A. Crystal chemical and structural characterization of an Mg-rich osumilite from Vesuvius volcano (Italy) Locality: Vesuvius volcano, Italy European Journal of Mineralogy, 2008, 20, 713-720 |
| 9013385 | CIF | Al8.001 B3.39 Ca0.09 Fe0.009 H6.6 Li0.9 Mn0.09 Na0.53 O31 Si5.61 | R 3 m :H | 15.777; 15.777; 7.086 90; 90; 120 | 1527.5 | Ertl, A.; Tillmanns, E.; Ntaflos, T.; Francis, C.; Giester, G.; Korner, W.; Hughes, J. M.; Lengauer, C.; Prem, M. Tetrahedrally coordinated boron in Al-rich tourmaline and its relationship to the pressure-temperature conditions of formation Note: O5 and O6 z-coordinates changed to match reported bond lengths European Journal of Mineralogy, 2008, 20, 881-888 |
| 9013386 | CIF | Al4.5 B0.5 O9.5 Si | C m c 21 | 5.7168; 15.023; 7.675 90; 90; 90 | 659.156 | Buick, I. S.; Grew, E. S.; Armbruster, T.; Medenbach, O.; Yates, M.; Bebout, G.; Clarke, G. Boromullite, Al9BSi2O19, a new mineral from granulite-facies metapelites, Mount Safford, central Australia: a natural analogue of a synthetic "boron-mullite" Locality: Mount Safford, central Australia European Journal of Mineralogy, 2008, 20, 935-950 |
| 9013387 | CIF | B3.112 Mg8 O16.026 Si1.028 | P n m a | 20.494; 11.89; 4.588 90; 90; 90 | 1117.97 | Galuskina, I. O.; Kadiyski, M.; Armbruster, T.; Galuskin, E. V.; Pertsev, N. N.; Dzierzanowski, P.; Wrzalik, R. A new natural phase in the system Mg2SiO4-Mg2BO3F-Mg2BO3(OH): composition, paragenesis and structure of OH-dominant pertsevite European Journal of Mineralogy, 2008, 20, 951-964 |
| 9013388 | CIF | Al B3 Ca O7 | C m m a | 7.967; 11.723; 4.3718 90; 90; 90 | 408.314 | Kadiyski, M.; Armbruster, T.; Gunther, D.; Reusser, E.; Peretti, A. Johachidolite, CaAl[B3O7], a mineralogical and structural peculiarity European Journal of Mineralogy, 2008, 20, 965-973 |
| 9013389 | CIF | Ca0.129 Fe4.759 Mg0.327 Na1.871 O20 Si5.914 Ti | P -1 | 10.415; 10.84; 8.931 105.107; 96.61; 125.398 | 746.778 | Grew, E. S.; Halenius, U.; Pasero, M. The crystal-chemistry of aenigmatite revisited: electron microprobe data, structure refinement and Mossbauer spectroscopy of aenigmatite from Vesteroya (Norway) European Journal of Mineralogy, 2008, 20, 983-991 |
| 9013390 | CIF | Al2.89 Ca0.21 H3 Mn1.9 O14 Si3 | P 1 21/m 1 | 8.697; 5.787; 9.769 90; 108.91; 90 | 465.133 | Hatert, F.; Fransolet, A. M.; Wouters, J.; Bernhardt, H. J. The crystal structure of sursassite from the Lienne Valley, Stavelot Massif, Belgium European Journal of Mineralogy, 2008, 20, 993-998 |
| 9013391 | CIF | C5 H8 | P -4 21 c | 6.6; 6.6; 8.81 90; 90; 90 | 383.764 | Donohue, J.; Goodman, S. H. The crystal structure of adamantane: An example of a false minimum in least squares Note: low temperature phase Acta Crystallographica, 1967, 22, 352-354 |
| 9013392 | CIF | Mo Ni P | P -6 2 m | 5.861; 5.861; 3.704 90; 90; 120 | 110.191 | Guerin, R.; Sergent, M. Structure cristalline de NiMoP Localite: synthetic Acta Crystallographica, Section B, 1977, 33, 2820-2823 |
| 9013393 | CIF | O2 Si | F 1 | 9.932; 17.216; 81.864 90; 90; 90 | 13997.9 | Konnert, J. H.; Appleman, D. E. The crystal structure of low tridymite Acta Crystallographica, Section B, 1978, 34, 391-403 |
| 9013394 | CIF | Sb | R -3 m :H | 4.214; 4.214; 10.569 90; 90; 120 | 162.538 | Schiferl, D.; Cromer, D. T.; Jamieson, J. C. Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 6.3 GPa Note: known as the A7 rhombohedral-type structure Acta Crystallographica, Section B, 1981, 37, 807-810 |
| 9013395 | CIF | Sb | R -3 m :H | 4.21; 4.21; 10.53 90; 90; 120 | 161.63 | Schiferl, D.; Cromer, D. T.; Jamieson, J. C. Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 6.8 GPa Note: known as the A7 rhombohedral-type structure Acta Crystallographica, Section B, 1981, 37, 807-810 |
| 9013396 | CIF | Sb | R -3 m :H | 4.198; 4.198; 10.485 90; 90; 120 | 160.024 | Schiferl, D.; Cromer, D. T.; Jamieson, J. C. Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 7.15 GPa Note: known as the A7 rhombohedral-type structure Acta Crystallographica, Section B, 1981, 37, 807-810 |
| 9013397 | CIF | Sb | R -3 m :H | 4.196; 4.196; 10.455 90; 90; 120 | 159.414 | Schiferl, D.; Cromer, D. T.; Jamieson, J. C. Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 7.7 GPa Note: known as the A7 rhombohedral-type structure Acta Crystallographica, Section B, 1981, 37, 807-810 |
| 9013398 | CIF | Mg2 O4 Ti | F d -3 m :2 | 8.4376; 8.4376; 8.4376 90; 90; 90 | 600.699 | Wechsler, B. A.; Von Dreele, R. B. Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron powder diffraction Locality: synthetic Sample: T = 973 K Acta Crystallographica, Section B, 1989, 45, 542-549 |
| 9013399 | CIF | Pd S | P 42/m | 6.429; 6.429; 6.611 90; 90; 90 | 273.246 | Brese, N. E.; Squattrito, P. J.; Ibers, J. A. Reinvestigation of the structure of PdS Acta Crystallographica, Section C, 1985, 41, 1829-1830 |
| 9013400 | CIF | Pb S | F m -3 m | 5.9143; 5.9143; 5.9143 90; 90; 90 | 206.876 | Noda, Y.; Masumoto, K.; Ohba, S.; Saito, Y.; Toriumi, K.; Iwata, Y.; Shibuya, I. Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS, PbSe and PbTe Locality: synthetic Sample: T = 120 K Acta Crystallographica, Section C, 1987, 43, 1443-1445 |
| 9013401 | CIF | Pb S | F m -3 m | 5.9181; 5.9181; 5.9181 90; 90; 90 | 207.275 | Noda, Y.; Masumoto, K.; Ohba, S.; Saito, Y.; Toriumi, K.; Iwata, Y.; Shibuya, I. Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS, PbSe and PbTe Locality: synthetic Sample: T = 150 K Acta Crystallographica, Section C, 1987, 43, 1443-1445 |
| 9013402 | CIF | Pb S | F m -3 m | 5.9297; 5.9297; 5.9297 90; 90; 90 | 208.496 | Noda, Y.; Masumoto, K.; Ohba, S.; Saito, Y.; Toriumi, K.; Iwata, Y.; Shibuya, I. Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS, PbSe and PbTe Locality: synthetic Sample: T = 250 K Acta Crystallographica, Section C, 1987, 43, 1443-1445 |
| 9013403 | CIF | Pb S | F m -3 m | 5.9315; 5.9315; 5.9315 90; 90; 90 | 208.686 | Noda, Y.; Masumoto, K.; Ohba, S.; Saito, Y.; Toriumi, K.; Iwata, Y.; Shibuya, I. Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS, PbSe and PbTe Locality: synthetic Sample: T = 298 K Acta Crystallographica, Section C, 1987, 43, 1443-1445 |
| 9013404 | CIF | Fe2 H O5 P | P 1 21/a 1 | 12.265; 13.197; 9.7385 90; 108.63; 90 | 1493.69 | Hatert, F. Fe2(PO4)(OH), a synthetic analogue of wolfeite Sample: T = 1063 K, P = 2.5 GPa Acta Crystallographica, Section C, 2007, 63, i119-i121 |
| 9013405 | CIF | F2 Fe H4 K2 O8 P2 | P 1 21/c 1 | 4.7586; 8.253; 10.758 90; 92.845; 90 | 421.975 | Mi, J. X.; Wang, C. X.; Wei, Z. B.; Chen, F. J.; Xu, C. Y.; Mao, S. Y. K2Fe[H(HPO4)2]F2 Acta Crystallographica, Section E, 2005, 61, i143-i145 |
| 9013406 | CIF | H14 Ni O11 S | P 21 21 21 | 11.82; 12.02; 6.81 90; 90; 90 | 967.54 | Beevers, C. A.; Schwartz, C. M. The crystal structure of nickel sulphate heptahydrate NiSO4*7H2O Note: hydrogen positions from Acta Crystallographica B24 (1968) 1131-1133 Note: all atoms shifted .25, 0, 0 Zeitschrift fur Kristallographie, 1935, 91, 157-169 |
| 9013407 | CIF | Na Nb O3 | R 3 c :R | 7.8147; 7.8147; 7.8147 89.17; 89.17; 89.17 | 477.091 | Seidel, P.; Hoffmann, W. Verfeinerung der kristallstruktur von NaNbO3 N. Bestimmung der absoluten konfiguration und des zwillingsgesetzes Note T = 84 K Zeitschrift fur Kristallographie, 1976, 143, 444-459 |
| 9013408 | CIF | As0.91 Co0.13 Fe0.87 S1.09 | P 1 21/c 1 | 5.741; 5.649; 5.756 90; 110.588; 90 | 174.75 | Fuess, H.; Kratz, T.; Topel-Schadt J; Miehe, G. Crystal structure refinement and electron microscopy of arsenopyrite Note: structure was transformed to this setting from C2_1/d Zeitschrift fur Kristallographie, 1987, 179, 335-346 |
| 9013409 | CIF | S Zn | P 63 m c | 3.814; 3.814; 12.46 90; 90; 120 | 156.968 | Frondel, C.; Palache, C. Three new polymorphs of zinc sulfide Science, 1948, 107, 602-602 |
| 9013410 | CIF | S5 Zn5 | R 3 m :H | 3.83; 3.83; 46.87999 90; 90; 120 | 595.547 | Frondel, C.; Palache, C. Three new polymorphs of zinc sulfide Science, 1948, 107, 602-602 |
| 9013412 | CIF | S Zn | P 63 m c | 3.818; 3.818; 6.26 90; 90; 120 | 79.027 | Ballentyne, D. W. G.; Roy, B. Electroluminescence and crystal structure in the alloy system ZnS - CdS Physica, 1961, 27, 337-341 |
| 9013413 | CIF | Ba O2 | I 4/m m m | 3.8114; 3.8114; 6.8215 90; 90; 90 | 99.094 | Wong-Ng W; Roth, R. S. Single-crystal structural investigation of BaO2 Physica C, 1994, 233, 97-101 |
| 9013414 | CIF | Fe | I m -3 m | 2.858; 2.858; 2.858 90; 90; 90 | 23.345 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2 Physical Review, 1925, 25, 753-761 |
| 9013415 | CIF | Fe | I m -3 m | 2.855; 2.855; 2.855 90; 90; 90 | 23.271 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 3 & 4 Physical Review, 1925, 25, 753-761 |
| 9013416 | CIF | Pd | F m -3 m | 3.859; 3.859; 3.859 90; 90; 90 | 57.468 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2 Physical Review, 1925, 25, 753-761 |
| 9013417 | CIF | Pt | F m -3 m | 3.912; 3.912; 3.912 90; 90; 90 | 59.868 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of three runs Physical Review, 1925, 25, 753-761 |
| 9013418 | CIF | Pb | F m -3 m | 4.92; 4.92; 4.92 90; 90; 90 | 119.095 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2 Physical Review, 1925, 25, 753-761 |
| 9013419 | CIF | B | P n n m | 5.0576; 5.6245; 6.9884 90; 90; 90 | 198.795 | Zarechnaya, E. Y.; Dubrovinsky, L.; Dubrovinskaia, N.; Filinchuk, Y.; Chernyshov, D.; Dmitriev, V.; Miyajima, N.; El Goresy, A.; Braun, H. F.; Van Smaalen, S.; Kantor, I.; Kantor, A.; Prakapenka, V.; Hanfland, M.; Mikhaylushkin, A. S.; Abrikosov, I. A.; Simak, S. I. Superhard semiconducting optically transparent high pressure phase of boron Note: crystal quenched from 20 GPa, 1700 K Physical Review Letters, 2009, 102, 185501-1185501-4 |
| 9013420 | CIF | S Zn | P 63 m c | 3.777; 3.777; 6.188 90; 90; 120 | 76.45 | Yeh, C.; Lu, Z. W.; Froyen, S.; Zunger, A. Zinc-blende-wurtzite polytypism in semiconductors Physical Review B, 1992, 46, 10086-10097 |
| 9013421 | CIF | Mn0.29 Se Zn0.71 | P 63 m c | 4.064; 4.064; 6.643 90; 90; 120 | 95.017 | Yeh, C.; Lu, Z. W.; Froyen, S.; Zunger, A. High-pressure phase transitions in Zn1-xMnxSe: A Raman scattering and photoluminescence study Note: wurtzite structure Note: synthetic Physical Review B, 1995, 52, 11052-11058 |
| 9013422 | CIF | Ce0.91 O4 Si Y0.09 | I 41/a m d :2 | 6.9746; 6.9746; 6.2055 90; 90; 90 | 301.867 | Schluter, J.; Malcherek, T.; Husdal, T. A. The new mineral stetindite, CeSiO4, a cerium end-member of the zircon group Neues Jahrbuch fur Mineralogie, Abhandlungen, 2009, 186, 195-200 |
| 9013423 | CIF | Al Ca2 H22 O11 S0.5 | R -3 :H | 5.7586; 5.7586; 26.7946 90; 90; 120 | 769.506 | Allmann, R. Refinement of the hybrid layer structure [Ca2Al(OH)6]+*[1/2SO4*3H2O]- Note: z(Wat1) adjusted to match reported bond lengths Neues Jahrbuch fur Mineralogie, Monatshefte, 1977, 1977, 136-144 |
| 9013424 | CIF | Bi2 Se3 | P n m a | 11.83; 4.09; 11.62 90; 90; 90 | 562.23 | Atabaeva, E. Y.; Mashkov, S. A.; Popova, S. V. The crystal structure of a new modification of Bi2Se3-II Kristallografiya, 1973, 18, 173-174 |
| 9013425 | CIF | Al1.2 Be2 Ca3.5 Fe10.3 Mg0.5 Na0.5 O40 Si8.8 Ti1.2 | P -1 | 10.352; 10.744; 8.864 105.73; 96.16; 124.91 | 733.912 | Yakubovich, O. V.; Malinovskii, Y. A.; Polyakov, V. O. Crystal structure of makarochkinite of the Il'menskii National Forest, Russia Kristallografiya, 1990, 35, 1388-1394 |
| 9013426 | CIF | O2 Si | P 1 21/c 1 | 8.378; 4.6018; 9.0568 90; 124.949; 90 | 286.205 | Dove, M. T.; Craig, M. S.; Keen, D. A.; Marshall, W. G.; Redfern, S. A. T.; Trachenko, K. O.; Tucker, M. G. Crystal structure of the high-pressure monoclinic phase-II of cristobalite, SiO2 Locality: synthetic Note: P = 3.5 GPa, refinement by unconstrained Rietveld analysis Mineralogical Magazine, 2000, 64, 569-576 |
| 9013427 | CIF | O2 Si | P 1 21/c 1 | 8.3769; 4.602; 9.0583 90; 124.939; 90 | 286.263 | Dove, M. T.; Craig, M. S.; Keen, D. A.; Marshall, W. G.; Redfern, S. A. T.; Trachenko, K. O.; Tucker, M. G. Crystal structure of the high-pressure monoclinic phase-II of cristobalite, SiO2 Locality: synthetic Note: P = 3.5 GPa, refinement by constrained Rietveld analysis Mineralogical Magazine, 2000, 64, 569-576 |
| 9013428 | CIF | Ag11.706 As0.618 Cu4.294 S11 Sb1.382 | P -3 m 1 | 7.3277; 7.3277; 11.7752 90; 90; 120 | 547.563 | Bindi, L.; Evain, M.; Spry, P. G.; Tait, K. T.; Menchetti, S. Structural role of copper in the minerals of the pearceite-polybasite group: the case of the new minerals cupropearceite and cupropolybasite Mineralogical Magazine, 2007, 71, 641-650 |
| 9013429 | CIF | Ag5 S4 Sb | C m c 21 | 7.8329; 12.458; 8.5272 90; 90; 90 | 832.104 | Leitl, M.; Pfitzner, A.; Bindi, L. Preferred ion diffusion pathways and activation energies for Ag in the crystal structure of stephanite, Ag5SbS4 Note: y-coordinate of Sb altered by Bindi, June 2009 Mineralogical Magazine, 2009, 73, 17-26 |
| 9013430 | CIF | Mn5 Si3 | P 63/m c m | 6.8971; 6.8971; 4.8075 90; 90; 120 | 198.054 | Yusupov, R. G.; Stanley, C. J.; Welch, M. D.; Spratt, J.; Cressey, G.; Rumsey, M. S.; Seltmann, R.; Igamberdiev, E. Mavlyanovite, Mn5Si3: a new mineral species from a lamproite diatreme, Chatkal Ridge, Uzbekistan Locality: Chatkal Ridge, Uzbekistan Mineralogical Magazine, 2009, 73, 43-50 |
| 9013431 | CIF | Al0.03 Fe0.82 K0.01 Mg0.08 Mn0.01 Na0.77 O8 P0.06 S2 Ti0.02 | C 1 2/m 1 | 8.043; 5.139; 7.115 90; 92.13; 90 | 293.881 | Balic-Zunic T; Garavelli, A.; Acquafredda, P.; Leonardsen, E.; Jakobsson, S. P. Eldfellite, NaFe(SO4)2, a new fumarolic mineral from Eldfell volcano, Iceland Mineralogical Magazine, 2009, 73, 51-57 |
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