Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9016342 | CIF | Ni Ti | P 1 1 21/m | 2.8894; 4.1334; 4.6321 90; 90; 96.929 | 54.917 | 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 |
| 9016343 | CIF | Al1.468 Fe0.53 Mg1.004 O4 | F d -3 m :2 | 8.1709; 8.1709; 8.1709 90; 90; 90 | 545.519 | 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 750 C Annealing time = 30 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016344 | CIF | Fe1.1 H0.24 K Mg1.9 O12 Si4 | C 1 2/m 1 | 5.3269; 9.222; 10.129 90; 100.027; 90 | 489.984 | 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 LC7_R5 Physics and Chemistry of Minerals, 2008, 35, 163-174 |
| 9016345 | CIF | Al5.68 B3 Cr0.315 Fe0.635 H3 Mg2.001 Na0.96 Ni0.158 O31 Si6 Ti0.039 V0.031 | P 1 | 15.903; 15.9118; 7.2304 90.063; 89.793; 119.742 | 1588.59 | Hughes, J. M.; Rakovan, J.; Ertl, A.; Rossman, G. R.; Baksheev, I.; Bernhardt, H.-J. Dissymmetrization in tourmaline: the atomic arrangement of sectorally zoned triclinic Ni-bearing dravite The Canadian Mineralogist, 2011, 49, 29-40 |
| 9016346 | CIF | Al H24 N O20 S2 | P a -3 | 12.24; 12.24; 12.24 90; 90; 90 | 1833.77 | Larson, A. C.; Cromer, D. T. Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O Acta Crystallographica, 1967, 22, 793-800 |
| 9016347 | CIF | Fe S4 Sb2 | P n a m | 11.034; 13.5152; 3.7136 90; 90; 90 | 553.797 | Periotto, B.; Balic-Zunic T; Nestola, F. The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 4.89 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
| 9016350 | CIF | Be H7.532 Na2 O13.766 Si4 | P 21 21 21 | 9.7128; 10.1352; 11.8919 90; 90; 90 | 1170.65 | Armstrong, J. A.; Friis, H.; Lieb, A.; Finch, A. A.; Weller, M. T. Combined single-crystal X-ray and neutron powder diffraction structure analysis exemplified through full structure determinations of framework and layer beryllate minerals American Mineralogist, 2010, 95, 519-526 |
| 9016351 | CIF | Al3 Ba F3.36 H4.64 Li Mg2 O16.64 Si4 | C c c a :2 | 13.6; 20.24; 5.16 90; 90; 90 | 1420.36 | X-ray Laboratory, Wuhan Geologic College; Geology Laboratory, Hunan Geology Bureau; Geology Team 654, Hunan Geology Bureau Balipholite BaMg2LiAl3[Si2O6]2(OH,F)8 and its crystal structure Scientia Geologica Sinica, 1977, 12, 65-82 |
| 9016353 | CIF | C0.736 H1.998 Al2.7 Ca0.21 Na3.73 O15.207 Si3.3 | P 63 | 12.607; 12.607; 5.111 90; 90; 120 | 703.493 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# kir2343 The Canadian Mineralogist, 2012, 49, 1129-1150 |
| 9016354 | CIF | Al2.754 H12 Mg Na0.75 O42 Si15.246 | I m m m | 19.156; 14.127; 7.489 90; 90; 90 | 2026.65 | Vaughan, P. A. The crystal structure of the zeolite ferrierite Acta Crystallographica, 1966, 21, 983-990 |
| 9016355 | CIF | Li0.4 O3 Sb | P n c n | 4.726; 8.659; 5.2306 90; 90; 90 | 214.049 | Fourquet, J.; Gillet, P.; Le Bail, A. Li/H topotactic exchange on LiSbO3: The series Li(1-x)HxSbO3 (0<=x<=1). _cod_database_code 1000142 Materials Research Bulletin, 1989, 24, 1207-1214 |
| 9016356 | CIF | Ru S2 | P a -3 | 5.6106; 5.6106; 5.6106 90; 90; 90 | 176.615 | 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 |
| 9016358 | CIF | Al36 Ca6.986 H3.76 K12.636 Na30.232 O169.914 S14.656 Si36 | R 3 2 :H | 12.877; 12.877; 95.244 90; 90; 120 | 13677.2 | Camara, F.; Bellatreccia, F.; Della Ventura, G.; Gunter, M. E.; Sebastiani, M.; Cavallo, A. Kircherite, a new mineral of the cancrinite-sodalite group with a 36-layer stacking sequence: Occurrence and crystal structure American Mineralogist, 2012, 97, 1494-1504 |
| 9016361 | CIF | Bi9 Br4.272 Cl43.728 H21 K3.627 N17.373 | R -3 c :H | 13.093; 13.093; 102.682 90; 90; 120 | 15244.2 | Demartin, F.; Campostrini, I.; Castellano, C.; Gramaccioli, C. M. Argesite, (NH4)7Bi3Cl16, a new mineral from La Fossa Crater, Vulcano, Aeolian Islands, Italy: A first example of the [Bi2Cl10]4- anion American Mineralogist, 2012, 97, 1446-1451 |
| 9016362 | CIF | Al1.99 Cu0.41 Mg0.59 O4 | F d -3 m :2 | 8.0852; 8.0852; 8.0852 90; 90; 90 | 528.533 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl70aw American Mineralogist, 2012, 97, 1821-1827 |
| 9016363 | CIF | Al1.609 Fe0.389 Mg1.002 O4 | F d -3 m :2 | 8.1471; 8.1471; 8.1471 90; 90; 90 | 540.766 | 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 650 C Annealing time = 381 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016364 | CIF | Al1.459 Fe0.539 Mg1.002 O4 | F d -3 m :2 | 8.1684; 8.1684; 8.1684 90; 90; 90 | 545.018 | 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 = 5340 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016365 | CIF | Fe4 H12.5 O12.25 | I m m m | 7.544; 7.56; 7.558 90; 90; 90 | 431.053 | Birch, W. D.; Pring, A.; Reller, A.; Schmalle, H. W. Bernalite, Fe(OH)3, a new mineral from Broken Hill, New South Wales: Description and structure American Mineralogist, 1993, 78, 827-834 |
| 9016367 | CIF | B Ce O5 Si | P 31 | 6.844; 6.844; 6.7 90; 90; 120 | 271.785 | Callegari, A.; Giuseppetti, G.; Mazzi, F.; Tadini, C. The refinement of the crystal structure of stillwellite: RE[BSiO5] Neues Jahrbuch fur Mineralogie, Monatshefte, 1992, 1992, 49-57 |
| 9016368 | CIF | H6 Mg O6 Si | P 21 21 21 | 5.173; 5.21; 7.371 90; 89.88; 90 | 198.658 | Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S. The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, GGA from P2_12_12_1 American Mineralogist, 2012, 97, 1043-1048 |
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