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