Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000026 | CIF | B2 Mg | P 6/m m m | 3.085; 3.085; 3.523 90; 90; 120 | 29.04 | J. Appl. Chem. USSR, engl. trans., 1971, 44, 970-974 |
| 1000027 | CIF | Mg O4 S | C m c m | 5.182; 7.893; 6.506 90; 90; 90 | 266.1 | Rentzeperis, P J; Soldatos, C T The Crystal Structure of the Anhydrous Magnesium Sulfate Acta Crystallographica (1,1948-23,1967), 1958, 11, 686-688 |
| 1000028 | CIF | Al6 Cl2 Na8 O24 Si6 | P -4 3 n | 8.875; 8.875; 8.875 90; 90; 90 | 699 | Hassan, I.; Grundy, H. D. The Crystal Structures of Sodalite-Group Minerals Acta Crystallographica, Section B: Structural Science, 1984, 40, 6-13 |
| 1000029 | CIF | Al2.7 N15.1 O0.9 Si9.3 Y0.5 | P 3 1 c | 7.82927; 7.82927; 5.70757 90; 90; 120 | 303 | Izumi, F.; Mitomo, M.; Bando, Y. Rietveld refinements for calcium and yttrium containing α-sialons Journal of Materials Science, 1984, 19, 3115-3120 |
| 1000030 | CIF | Ba2 Cu3 O6.9 Y | P m m m | 3.8203; 3.88548; 11.68349 90; 90; 90 | 173.4 | Williams, A; Kwei, G H; Dreele, R B von; Larson, A C; Raistrick, I D; Bish, D L Joint X-ray and neutron refinement of the structure of superconducting YBa~2~Cu~3~O~7-x~: precision structure, anisotropic thermal parameters, strain and cation disorder Physical Review, Serie 3. B - Condensed Matter (18,1978-), 1988, 37, 7960-7962 |
| 1000031 | CIF | Ba2 Cu4 O8 Y | A m m m | 3.8402; 3.8708; 27.2309 90; 90; 90 | 404.8 | Lightfoot, P.; Pei, S.; Jorgensen, J. D.; Yamada, Y.; Matsumoto, T.; Izumi, F.; Kodama, Y. Redetermination of the structure of the 80 K superconductor YBa~2~Cu~4~O~8~ by time-of-flight neutron powder diffraction Acta Crystallographica Section C, 1991, 47, 1143-1145 |
| 1000032 | CIF | Al2 O3 | R -3 c :H | 4.7605; 4.7605; 12.9956 90; 90; 120 | 255.1 | Lutterotti, L; Scardi, P Simultaneous structure and size-strain refinement by the Rietveld method Journal of Applied Crystallography, 1990, 23, 246-252 |
| 1000033 | CIF | C Ba O3 | P m c n | 5.3126; 8.8958; 6.4284 90; 90; 90 | 303.8 | de Villiers, J. P. R. Crystal structures of aragonite, strontianite, and witherite American Mineralogist, 1971, 56, 758-767 |
| 1000034 | CIF | Al2 Ca O8 Si2 | P -1 | 8.173; 12.869; 14.165 93.113; 115.913; 91.261 | 1336.3 | Wainwright, J E; Starkey, J A refinement of the structure of anorthite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1971, 133, 75-84 |
| 1000035 | CIF | Al0.34 Ca0.6 Fe0.2 Mg0.9 Na0.1 O6 Si1.82 | C 1 2/c 1 | 9.699; 8.844; 5.272 90; 106.97; 90 | 432.5 | Clark, J R; Appleman, D E; Papike, J J Crystal-Chemical Characterization of Clinopyroxenes based on Eight New Structure Refinements Mineralogical Society of America: Special Papers, 1969, 2, 31-50 |
| 1000036 | CIF | H2 Mg3 O12 Si4 | C 1 c 1 | 5.33; 9.18; 28.85 90; 93.25; 90 | 1409.3 | Hendricks, S B; Jefferson, M E Crystal structure of vermiculites and mixed vermiculite-chlorites American Mineralogist, 1938, 23, 851-862 |
| 1000037 | CIF | Ba O4 S | P n m a | 8.884; 5.458; 7.153 90; 90; 90 | 346.8 | Colville, A A; Staudhammer, K A Refinement of the Structure of Barite American Mineralogist, 1967, 52, 1877-1880 |
| 1000038 | CIF | Al Fe H2 K Mg2 O12 Si3 | C 1 2/m 1 | 5.345; 9.258; 10.222 90; 100.23; 90 | 497.8 | Brigatti, M F; Davoli, P Crystal structure refinement of 1M plutonic biotites American Mineralogist, 1990, 75, 305-313 |
| 1000039 | CIF | Al6 Ca9 O18 | P a -3 | 15.263; 15.263; 15.263 90; 90; 90 | 3555.7 | Mondal, P; Jeffery, J W The crystal structure of tricalcium aluminate, Ca~3~ Al~2~ O~6~ Acta Crystallographica B (24,1968-38,1982), 1975, 31, 689-697 |
| 1000040 | CIF | Al0.6 Ca2 Fe1.4 O5 | I b m 2 | 5.588; 14.61; 5.38 90; 90; 90 | 439.2 | Colville, A A; Geller, S Crystal structures of Ca~2~ Fe~1.43~ Al~0.57~ O~5~ and Ca~2~ Fe~1.28~ Al~0.72~ O~5~ Acta Crystallographica B (24,1968-38,1982), 1972, 28, 3196-3200 |
| 1000041 | CIF | Cl Na | F m -3 m | 5.62; 5.62; 5.62 90; 90; 90 | 177.5 | Abrahams, S C; Bernstein, J L Accuracy of an automatic diffractometer. measurement of the sodium chloride structure factors Acta Crystallographica (1,1948-23,1967), 1965, 18, 926-932 |
| 1000042 | CIF | Al3 H2 K O12 Si3 | C 1 2/c 1 | 5.189; 8.995; 20.09698 90; 95.18; 90 | 934.2 | Gatineau, L Localisation des remplacements isomorphiques dans la Muscovite Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965), 1963, 256, 4648-4649 |
| 1000043 | CIF | Ca F2 | F m -3 m | 5.462; 5.462; 5.462 90; 90; 90 | 163 | Cheetham, A K; Fender, B E F; Cooper, M J Defect structure of calcium fluoride containing excess anions: I. Bragg scattering Journal of Physics C, 1971, 4, 3107-3121 |
| 1000044 | CIF | Ca O | F m -3 m | 4.799; 4.799; 4.799 90; 90; 90 | 110.5 | Primak, W; Kaufman, H; Ward, R X-Ray Diffraction Studies of Systems Involved in the Preparation of Alkaline Earth Sulfide and Selenide Phosphors Journal of the American Chemical Society, 1948, 70, 2043-2046 |
| 1000045 | CIF | Ca H2 O2 | P -3 m 1 | 3.5862; 3.5862; 4.8801 90; 90; 120 | 54.4 | Busing, W R; Levy, H A Neutron diffraction study of calcium hydroxide Journal of Chemical Physics, 1957, 26, 563-568 |
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