Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9015713 | CIF | Cl2 Fe | R -3 m :H | 3.58; 3.58; 17.54 90; 90; 120 | 194.682 | Herpin, A.; Meriel, P. Etude par diffraction de neutrons a 4.2 K de la structure antiferromagnetique de Cl2Fe Note: T = 4.2 K Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1957, 245, 650-653 |
| 9015714 | CIF | Cu O | C 1 2/c 1 | 4.6791; 3.4805; 5.1183 90; 98.5981; 90 | 82.418 | Calos, N. J.; Forrester, J. S.; Schaffer, G. B. A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 36 min Journal of Solid State Chemistry, 1996, 122, 273-280 |
| 9015715 | CIF | Ba O3 Ti | A m m 2 | 4.0094; 5.6214; 5.6386 90; 90; 90 | 127.085 | Xiao, C. J.; Jin, C. Q.; Wang, X. H. Crystal structure of dense nanocrystalline BaTiO3 ceramics Note: phase O (orthorhombic) Materials Chemistry and Physics, 2008, 111, 209-212 |
| 9015716 | CIF | Al1.461 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.1685; 8.1685; 8.1685 90; 90; 90 | 545.038 | 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 = 2460 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015717 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9541; 7.9494; 5.7186 90; 90; 90 | 225.211 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 184 K American Mineralogist, 2012, 97, 707-712 |
| 9015720 | CIF | Ca2 Fe2 O5 | P n m a | 5.3522; 14.5621; 5.5354 90; 90; 90 | 431.425 | 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 = 5.564 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9015721 | CIF | Cu3 H6 O11 V2 | I 1 a 1 | 10.646; 5.867; 14.432 90; 95.19; 90 | 897.728 | Kashaev, A. A.; Rozhdestvenskaya, I. V.; Bannova, I. I.; Sapozhnikov, A. N.; Glebova, O. D. Balance, uniformity, and asymmetry of the structure of volborthite Cu3(OH)2(V2O7)*2H2O Journal of Structural Chemistry, 2008, 49, 708-711 |
| 9015722 | CIF | Al Ca0.84 F2 Fe10.52 K0.83 Mg3.48 Na3.106 O48 P11.74 Pb0.17 Sr0.16 | C 1 2/c 1 | 16.459; 10.018; 24.597 90; 105.78; 90 | 3902.86 | Steele, I. M. Arrojadite: variations in space group and composition based on four new refinements Sample: arro135C General Meeting of the International Mineralogical Association, 2002, 18, MO2-117 |
| 9015723 | CIF | Hg I2 | P 42/n m c :2 | 4.36; 4.36; 12.337 90; 90; 90 | 234.521 | 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 = 100 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
| 9015724 | CIF | Fe0.5 Ni0.5 Sb3 | I m -3 | 9.0904; 9.0904; 9.0904 90; 90; 90 | 751.189 | 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 |
| 9015730 | CIF | Ag16 As4 Fe0.526 Hg0.474 S15 | C 1 2 1 | 26.011; 15.048; 15.513 90; 90.4; 90 | 6071.85 | Bindi, L.; Downs, R. T.; Spry, P. G.; Pinch, W. W.; Menchetti, S. A chemical and structural re-examination of fettelite samples from the type locality, Odenwald, southwest Germany Sample: R100124 Mineralogical Magazine, 2012, 76, 551-566 |
| 9015731 | CIF | Al0.55 Ca2 Fe1.45 O5 | I 2 m b | 5.303; 14.3778; 5.529 90; 90; 90 | 421.561 | 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 = 6.27 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9015732 | CIF | Al0.05 Ca2 Fe1.703 H Mg0.187 Mn0.06 O15 Si5 | P -1 | 7.458; 12.168; 6.675 86.12; 93.86; 112.27 | 558.71 | Armbruster, T. Cation distribution in Mg, Mn-bearing babingtonite from Arvigo, Val Calanca, Grisons, Switzerland Schweizerische Mineralogische und Petrographische Mitteilungen, 2000, 80, 279-284 |
| 9015733 | CIF | Ni Ti0.921 | P 1 1 21/m | 2.92617; 4.17272; 4.69631 90; 90; 97.4036 | 56.864 | Sitepu, H. Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy Powder Diffraction, 2007, 22, 209-218 |
| 9015735 | CIF | C O6 Pb2 S2 | P n m a | 16.32; 8.7616; 4.5809 90; 90; 90 | 655.02 | Bindi, L.; Nestola, F.; Kolitsch, U.; Guastoni, A.; Zorzi, F. Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting thiosulphate and carbonate groups: description and crystal structure Note: Sample ID FAS-01 Mineralogical Magazine, 2011, 75, 2721-2732 |
| 9015736 | CIF | Os S2 | P a -3 | 5.64; 5.64; 5.64 90; 90; 90 | 179.406 | 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 |
| 9015737 | CIF | Ba0.492 Cu O10 Si4 Sr0.508 | P 4/n c c :2 | 7.38813; 7.38813; 15.8516 90; 90; 90 | 865.251 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .492 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9015747 | CIF | Fe2 H2 O17 P4 Pb3 | P 41 21 2 | 9.044; 9.044; 16.766 90; 90; 90 | 1371.36 | Mills, S. J.; Kolitsch, U.; Miyawaki, R.; Hatert, F.; Poirier, G.; Kampf, A. R.; Matsubara, S.; Tillmanns, E. Pb3Fe3+2(PO4)4(H2O), a new octahedral-tetrahedral framework structure with double-strand chains T = 220 C European Journal of Mineralogy, 2010, 22, 595-604 |
| 9015750 | CIF | Ba0.1 Ca Fe0.05 H12.11 K0.5 Mn0.05 Na1.6 Nb1.2 O32.87 Si8 Sr1.4 Ti2.8 Zn0.9 | C 1 m 1 | 14.491; 13.911; 7.822 90; 117.59; 90 | 1397.49 | Rozenberg, K. A.; Rastsvetaeva, R. K.; Pekov, I. V.; Chukanov, N. V. New Zn-rich representative of the labuntsovite group: crystal structure and microtwinning Note: x-coordinate of O15 was changed Doklady Chemistry, 2002, 383, 110-113 |
| 9015752 | CIF | Fe | F m -3 m | 3.509; 3.509; 3.509 90; 90; 90 | 43.207 | 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 M620, P = 19.70 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
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