Crystallography Open Database
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Result : There are 186 entries in the selection
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Searching space group like 'R -3 :R'
| COD ID: 1001180 | |
| CIF file | Formula: - In6 O12 W - Comments: Michel, D; Kahn, A The Structure of Indium Tungstate In~6~ W O~12~: Its Relation with the Fluorite Structure Acta Crystallographica B (24,1968-38,1982) 38 (1982) 1437-1441 Space group: R -3 :R Cell volume: 231.5 Cell parameters: 6.2277; 6.2277; 6.2277; 99.01; 99.01; 99.01; |
| COD ID: 1001774 | |
| CIF file | Formula: - Ca Cl6 H24 Mg2 O12 - Comments: Leclaire, A; Borel, M M; Monier, J C Structure de la tachydrite Acta Crystallographica B (24,1968-38,1982) 36 (1980) 2734-2735 Space group: R -3 :R Cell volume: 512.2 Cell parameters: 8.215; 8.215; 8.215; 76.04; 76.04; 76.04; |
| COD ID: 1004020 | |
| CIF file | Formula: - Ca O3 Sn - Comments: Durand, B; Loiseleur, H Crystal data for an ilmenite variety of calcium stannate Ca Sn O~3~ Journal of Applied Crystallography 11 (1978) 289-290 Space group: R -3 :R Cell volume: 132.9 Cell parameters: 6; 6; 6; 54.42; 54.42; 54.42; |
| COD ID: 1004021 | |
| CIF file | Formula: - Mn O3 Sn - Comments: Durand, B; Diot, M; Mollard, P Preparation et characterisation de la variete ilmenite des stannates de manganese Mn Sn O~3~ et de calcium Ca Sn O~3~ Annales de Chimie (Paris) (Vol=Year) 1979 (1979) 559-607 Space group: R -3 :R Cell volume: 120.2 Cell parameters: 5.74; 5.74; 5.74; 55.65; 55.65; 55.65; |
| COD ID: 1004022 | |
| CIF file | Formula: - Ca O3 Sn - Comments: Durand, B; Diot, M; Mollard, P Preparation et characterisation de la variete ilmenite des stannates de manganese Mn Sn O~3~ et de calcium Ca Sn O~3~ Annales de Chimie (Paris) (Vol=Year) 1979 (1979) 559-607 Space group: R -3 :R Cell volume: 132.9 Cell parameters: 6; 6; 6; 54.42; 54.42; 54.42; |
| COD ID: 1008900 | |
| CIF file | Formula: - Mg O6 Pb2 Te - Comments: Baldinozzi, G; Grebille, D; Sciau, Ph; Kiat, J-M; Moret, J; Berar, J-F Rietveld refinement of the incommensurate structure of the elpasolite (ordered perovskite) Pb2 Mg Te O6 Journal of Physics: Condensed Matter 10 (1998) 6461-6472 Space group: R -3 :R Cell volume: 127 Cell parameters: 5.6447; 5.6447; 5.6447; 59.923; 59.923; 59.923; |
| COD ID: 1010026 | |
| CIF file | Formula: - Ni O3 Ti - Comments: Posnjak, E; Barth, T F W Notes on some structures of the Ilmenite type Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 88 (1934) 271-280 Space group: R -3 :R Cell volume: 101.5 Cell parameters: 5.45; 5.45; 5.45; 55.13; 55.13; 55.13; |
| COD ID: 1010027 | |
| CIF file | Formula: - Cd O3 Ti - Comments: Posnjak, E; Barth, T F W Notes on some structures of the Ilmenite type Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 88 (1934) 271-280 Space group: R -3 :R Cell volume: 118.5 Cell parameters: 5.82; 5.82; 5.82; 53.6; 53.6; 53.6; |
| COD ID: 1010213 | |
| CIF file | Formula: - Cl6 H12 Ni O6 Sn - Comments: Pauling, L On the crystal structure of nickel chlorostannate hexahydrate Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 72 (1930) 482-492 Space group: R -3 :R Cell volume: 348.3 Cell parameters: 7.09; 7.09; 7.09; 96.75; 96.75; 96.75; |
| COD ID: 1010284 | |
| CIF file | Formula: - F2 H Na - Comments: Andersen, C C; Hassel, O Die Struktur des kristallisierten Natriumhydrofluorids und die Gestalt des Ions H F~2~^-^ Zeitschrift fuer Physikalische Chemie (Leipzig) 123 (1926) 151-159 Space group: R -3 :R Cell volume: 48 Cell parameters: 5.05; 5.05; 5.05; 40.03; 40.03; 40.03; |
| COD ID: 1010566 | |
| CIF file | Formula: - K O3 Sb - Comments: Spiegelberg, P X-Ray Studies on Potassium Antimonates Arkiv foer Kemi, Mineralogi och Geologi, A 14 (1940) 1-12 Space group: R -3 :R Cell volume: 151.1 Cell parameters: 6.814; 6.814; 6.814; 46.33; 46.33; 46.33; |
| COD ID: 1011033 | |
| CIF file | Formula: - Fe O3 Ti - Comments: Barth, T F W; Posnjak, E The Crystal Structure of Ilmenite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 88 (1934) 265-270 Space group: R -3 :R Cell volume: 104.6 Cell parameters: 5.52; 5.52; 5.52; 54.83; 54.83; 54.83; |
| COD ID: 1011150 | |
| CIF file | Formula: - Bi2 S Te2 - Comments: Harker, D The crystal structure of the mineral tetradymite, Bi2 Te2 S Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 89 (1934) 175-181 Space group: R -3 :R Cell volume: 161.5 Cell parameters: 10.31; 10.31; 10.31; 24.17; 24.17; 24.17; |
| COD ID: 1011226 | |
| CIF file | Formula: - Be2 O4 Si - Comments: Bragg, L W The structure of phenacite Be2 Si O4 Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 113 (1927) 642-657 Space group: R -3 :R Cell volume: 366.8 Cell parameters: 7.684; 7.684; 7.684; 108.02; 108.02; 108.02; |
| COD ID: 1520987 | |
| CIF file | Formula: - Cl18 Cs2 Pb Ta6 - Comments: Cordier, S.; Sergent, M.; Loisel, C.; Perrin, C. Tantalum chlorides in octahedral cluster chemistry: the structures of Cs2 Pb Ta6 Cl18 and Cs Pb Ta6 Cl18 Journal of Solid State Chemistry 147 (1999) 350-357 Space group: R -3 :R Cell volume: 674.495 Cell parameters: 10.291; 10.291; 10.291; 54.645; 54.645; 54.645; |
| COD ID: 1521313 | |
| CIF file | Formula: - Ga9.63 La2 O38 Ti10.26 - Comments: Meden, A.; Skapin, S.; Kolar, D. Crystal structure and powder data of davidite-type La2 Ti10.27 Ga9.63 O38 Powder Diffraction 14 (1999) 36-41 Space group: R -3 :R Cell volume: 646.373 Cell parameters: 9.1878; 9.1878; 9.1878; 68.458; 68.458; 68.458; |
| COD ID: 1521458 | |
| CIF file | Formula: - Ce7 O12 - Comments: Kuemmerle, E.A.; Heger, G. The structures of C-(Ce2 O3+d), Ce7 O12 and Ce11 O20 Journal of Solid State Chemistry 147 (1999) 485-500 Space group: R -3 :R Cell volume: 297.189 Cell parameters: 6.778; 6.778; 6.778; 99.42; 99.42; 99.42; |
| COD ID: 1524854 | |
| CIF file | Formula: - Mo6 Pb0.92 S20 - Comments: Marezio, M.; Dernier, P.D.; Corenzwit, E.; Remeika, J.P.; Matthias, B.T. Superconductivity of ternary sulfides and the structure of Pb Mo6 S8 Materials Research Bulletin 8 (1973) 657-657 Space group: R -3 :R Cell volume: 280.703 Cell parameters: 6.548; 6.548; 6.548; 89.37; 89.37; 89.37; |
| COD ID: 1525071 | |
| CIF file | Formula: - Br2 Mo6 S6 - Comments: Perrin, C.; Chevrel, R.; Sergent, M.; Fischer, O. Etude structurale d'un thiohalogenure supraconducteur derivant du Mo(II): Mo6 S6 Br2 Materials Research Bulletin 14 (1979) 1505-1515 Space group: R -3 :R Cell volume: 272.405 Cell parameters: 6.503; 6.503; 6.503; 94.43; 94.43; 94.43; |
| COD ID: 1525650 | |
| CIF file | Formula: - Mo6 Ni1.99 S5.82 Se2.18 - Comments: Belin, S.; Chevrel, R.; Sergent, M. Single crystal structural investigation on Niy Mo6 Se8-x Sx solid solution: a new location of nickel counterions Journal of Solid State Chemistry 155 (2000) 250-258 Space group: R -3 :R Cell volume: 273.094 Cell parameters: 6.5079; 6.5079; 6.5079; 94.37; 94.37; 94.37; |
| COD ID: 1525651 | |
| CIF file | Formula: - Mo6 Ni1.85 S4.54 Se3.46 - Comments: Belin, S.; Chevrel, R.; Sergent, M. Single crystal structural investigation on Niy Mo6 Se8-x Sx solid solution: a new location of nickel counterions Journal of Solid State Chemistry 155 (2000) 250-258 Space group: R -3 :R Cell volume: 280.433 Cell parameters: 6.5628; 6.5628; 6.5628; 94.055; 94.055; 94.055; |
| COD ID: 1525652 | |
| CIF file | Formula: - Mo6 Ni1.82 S3.89 Se4.11 - Comments: Belin, S.; Chevrel, R.; Sergent, M. Single crystal structural investigation on Niy Mo6 Se8-x Sx solid solution: a new location of nickel counterions Journal of Solid State Chemistry 155 (2000) 250-258 Space group: R -3 :R Cell volume: 282.714 Cell parameters: 6.579; 6.579; 6.579; 93.875; 93.875; 93.875; |
| COD ID: 1525653 | |
| CIF file | Formula: - Mo6 Ni1.28 S2.28 Se5.72 - Comments: Belin, S.; Chevrel, R.; Sergent, M. Single crystal structural investigation on Niy Mo6 Se8-x Sx solid solution: a new location of nickel counterions Journal of Solid State Chemistry 155 (2000) 250-258 Space group: R -3 :R Cell volume: 290.272 Cell parameters: 6.6313; 6.6313; 6.6313; 93.106; 93.106; 93.106; |
| COD ID: 1525654 | |
| CIF file | Formula: - Mo6 Ni1.25 Se8 - Comments: Belin, S.; Chevrel, R.; Sergent, M. Single crystal structural investigation on Niy Mo6 Se8-x Sx solid solution: a new location of nickel counterions Journal of Solid State Chemistry 155 (2000) 250-258 Space group: R -3 :R Cell volume: 304.841 Cell parameters: 6.7316; 6.7316; 6.7316; 91.183; 91.183; 91.183; |
| COD ID: 1525655 | |
| CIF file | Formula: - Mo6.41 S5.76 Se2.24 - Comments: Belin, S.; Burel, L.; Chevrel, R.; Sergent, M. Self-molybdenum intercalation: stabilization of metastable pseudo-binary Chevrel phases in Mo6 Se8 - Mo6 S8 system Materials Research Bulletin 35 (2000) 151-168 Space group: R -3 :R Cell volume: 270.801 Cell parameters: 6.483; 6.483; 6.483; 93.59; 93.59; 93.59; |
| COD ID: 1525656 | |
| CIF file | Formula: - Mo6.22 S3.94 Se4.06 - Comments: Belin, S.; Burel, L.; Chevrel, R.; Sergent, M. Self-molybdenum intercalation: stabilization of metastable pseudo-binary Chevrel phases in Mo6 Se8 - Mo6 S8 system Materials Research Bulletin 35 (2000) 151-168 Space group: R -3 :R Cell volume: 280.386 Cell parameters: 6.553; 6.553; 6.553; 92.76; 92.76; 92.76; |
| COD ID: 1525657 | |
| CIF file | Formula: - Mo6.3 S3.84 Se4.16 - Comments: Belin, S.; Burel, L.; Chevrel, R.; Sergent, M. Self-molybdenum intercalation: stabilization of metastable pseudo-binary Chevrel phases in Mo6 Se8 - Mo6 S8 system Materials Research Bulletin 35 (2000) 151-168 Space group: R -3 :R Cell volume: 281.649 Cell parameters: 6.565; 6.565; 6.565; 93.11; 93.11; 93.11; |
| COD ID: 1525658 | |
| CIF file | Formula: - Mo6.28 S2.24 Se5.76 - Comments: Belin, S.; Burel, L.; Chevrel, R.; Sergent, M. Self-molybdenum intercalation: stabilization of metastable pseudo-binary Chevrel phases in Mo6 Se8 - Mo6 S8 system Materials Research Bulletin 35 (2000) 151-168 Space group: R -3 :R Cell volume: 286.783 Cell parameters: 6.603; 6.603; 6.603; 92.85; 92.85; 92.85; |
| COD ID: 1526056 | |
| CIF file | Formula: - Ba Bi0.5 O3 Sb0.5 - Comments: Fu, W.T. A neutron powder diffraction study on Ba Bi0.5 Sb0.5 O3 Solid State Communications 116 (2000) 461-464 Space group: R -3 :R Cell volume: 156.625 Cell parameters: 6.0424; 6.0424; 6.0424; 60.178; 60.178; 60.178; |
| COD ID: 1527363 | |
| CIF file | Formula: - H30 Mg7 Na12 O67 S13 - Comments: Fang, J.H.; Robinson, P.D. Crystal structures and mineral chemistry of double-salt hydrates: II. The crystal structure of Loeweite American Mineralogist 55 (1970) 378-386 Space group: R -3 :R Cell volume: 1375.67 Cell parameters: 11.769; 11.769; 11.769; 106.5; 106.5; 106.5; |
| COD ID: 1527445 | |
| CIF file | Formula: - Fe6.7 La0.1 Mn0.7 O38 Pb0.1 Sr0.7 Ti13.6 - Comments: Grey, I.E.; White, J.S.jr.; Lloyd, D.J. The structure of crichtonite and its relationship to senaite American Mineralogist 61 (1976) 1203-1212 Space group: R -3 :R Cell volume: 644.398 Cell parameters: 9.148; 9.148; 9.148; 69.078; 69.078; 69.078; |
| COD ID: 1527760 | |
| CIF file | Formula: - Mo6 Pb0.92 S7.5 - Comments: Marezio, M.; Remeika, J.P.; Dernier, P.D.; Corenzwit, E.; Matthias, B.T. Superconductivity of ternary sulfides and the structure of Pb Mo6 S8 Materials Research Bulletin 8 (1973) 657-668 Space group: R -3 :R Cell volume: 281.083 Cell parameters: 6.551; 6.551; 6.551; 89.33; 89.33; 89.33; |
| COD ID: 1529546 | |
| CIF file | Formula: - Mo6 S8 Sn - Comments: Alekseevskii, N.E.; Dobrovol'skii, N.M.; Kiosse, G.A.; Markus, M.M.; Malinovskii, T.I.; Radautsan, S.I.; Samus, D.P. Structure and properties of Sn Mo6 S8 single crystals Doklady Akademii Nauk SSSR 242 (1978) 87-89 Space group: R -3 :R Cell volume: 276.511 Cell parameters: 6.515; 6.515; 6.515; 89.6; 89.6; 89.6; |
| COD ID: 1529760 | |
| CIF file | Formula: - Mo6 S8 Sn - Comments: Chevrel, R.; Rossel, C.; Sergent, M. The structure of Sn Mo6 S8 and the superconducting properties of the series Snx Mo6 S8 and My Snx Mo6 S8 (M = La, Ce, Pr, Eu, Gd, Ho, Lu, Y, In, U) Journal of the Less-Common Metals 72 (1980) 31-43 Space group: R -3 :R Cell volume: 278.05 Cell parameters: 6.527; 6.527; 6.527; 89.7; 89.7; 89.7; |
| COD ID: 1530563 | |
| CIF file | Formula: - Mo6 S8 Yb - Comments: Pena, O.; Gougeon, P.; Sergent, M.; Horyn, R. Growth of single crystals of the Yb Mo6 S8 phase and refinement of its crystal structure Journal of the Less-Common Metals 99 (1984) 225-232 Space group: R -3 :R Cell volume: 275.375 Cell parameters: 6.5063; 6.5063; 6.5063; 89.374; 89.374; 89.374; |
| COD ID: 1530564 | |
| CIF file | Formula: - Eu Mo6 S8 - Comments: Pena, O.; Horyn, R.; Padiou, J.; Geantet, C.; Gougeon, P.; Sergent, M. Crystal structure and physical properties of Eu Mo6 S8 single crystals at ambient pressure Journal of Solid State Chemistry 63 (1986) 62-69 Space group: R -3 :R Cell volume: 281.265 Cell parameters: 6.5531; 6.5531; 6.5531; 88.931; 88.931; 88.931; |
| COD ID: 1530565 | |
| CIF file | Formula: - Ce Mo6 S8 - Comments: Pena, O.; Padiou, J.; Horyn, R.; Potel, M.; Geantet, C.; Sergent, M. Crystal growth, crystal structure and physical characterization of Ce Mo6 S8 Materials Research Bulletin 22 (1987) 109-116 Space group: R -3 :R Cell volume: 275.597 Cell parameters: 6.509; 6.509; 6.509; 88.83; 88.83; 88.83; |
| COD ID: 1530864 | |
| CIF file | Formula: - Cu H30 Mo12 O54 U - Comments: Tat'yanina, I.V.; Chernaya, T.S.; Gorchenkova, E.A.; Spitsyn, V.I.; Simonov, V.I. Crystal structure of the U(IV) heteromolybdate Cu H6 (U Mo12 O42) (H2 O)12 Doklady Akademii Nauk SSSR 247 (1979) 1162-1165 Space group: R -3 :R Cell volume: 1113.15 Cell parameters: 10.554; 10.554; 10.554; 78.5; 78.5; 78.5; |
| COD ID: 1531725 | |
| CIF file | Formula: - Co0.54 Mo6 Se8 - Comments: Mancour-Billah, A.; Chevrel, R. A new increasing delocalization of M = 3d-elements (Ti, Fe, Co) in the channels network of the ternary My Mo6 Se8 Chevrel phases Journal of Solid State Chemistry 170 (2003) 281-288 Space group: R -3 :R Cell volume: 300.599 Cell parameters: 6.704; 6.704; 6.704; 92.23; 92.23; 92.23; |
| COD ID: 1531991 | |
| CIF file | Formula: - Al O4 P - Comments: Poulet, G.; Tuel, A.; Sautet, P. Structure of hydrated microporous aluminophosphates: static and molecular dynamics approaches of (Al P O4)-34 from first principles calculations J. Phys. Chem. B 106 (2002) 8599-8608 Space group: R -3 :R Cell volume: 832.974 Cell parameters: 9.442; 9.442; 9.442; 94.65; 94.65; 94.65; |
| COD ID: 1532790 | |
| CIF file | Formula: - La2 Mn Ni O6 - Comments: Bull, C.L.; Gleeson, D.; Knight, K.S. Determination of B-site ordering and structural transformations in the mixed transition metal perovskites La2 Co Mn O6 and La2 Ni Mn O6 Journal of Physics: Condensed Matter 15 (2003) 4927-4936 Space group: R -3 :R Cell volume: 117.778 Cell parameters: 5.47456; 5.47456; 5.47456; 60.6712; 60.6712; 60.6712; |
| COD ID: 1532794 | |
| CIF file | Formula: - Co La2 Mn O6 - Comments: Bull, C.L.; Gleeson, D.; Knight, K.S. Determination of B-site ordering and structural transformations in the mixed transition metal perovskites La2 Co Mn O6 and La2 Ni Mn O6 Journal of Physics: Condensed Matter 15 (2003) 4927-4936 Space group: R -3 :R Cell volume: 118.784 Cell parameters: 5.487977; 5.487977; 5.487977; 60.7239; 60.7239; 60.7239; |
| COD ID: 1533209 | |
| CIF file | Formula: - Cu La O6 Ru Sr - Comments: Gateshki, M.; Igartua, J.M. Crystal structures and phase transitions of the double perovskite oxides Sr La Cu Ru O6 and Sr La Ni Ru O6 Materials Research Bulletin 38 (2003) 1893-1900 Space group: R -3 :R Cell volume: 124.964 Cell parameters: 5.60087; 5.60087; 5.60087; 60.2585; 60.2585; 60.2585; |
| COD ID: 1534160 | |
| CIF file | Formula: - Cl6 H12 Mg O6 Te - Comments: Angoso, A.; Onken, H.; Hahn, H. Zur Struktur der Magnesiumhexaquo-hexahalogenotellurate(IV) Zeitschrift fuer Anorganische und Allgemeine Chemie 328 (1964) 223-230 Space group: R -3 :R Cell volume: 372.237 Cell parameters: 7.2; 7.2; 7.2; 92.4; 92.4; 92.4; |
| COD ID: 1534272 | |
| CIF file | Formula: - H6 Na2 O6 Sn - Comments: Bjoerling, C.O. The crystal structure of potassium hydroxostannate and some related compounds. Arkiv foer Kemi, Mineralogi och Geologi, B 15 (1942) 1-6 Space group: R -3 :R Cell volume: 144.641 Cell parameters: 5.84; 5.84; 5.84; 61.2; 61.2; 61.2; |
| COD ID: 1534273 | |
| CIF file | Formula: - H6 K2 O6 Sn - Comments: Bjoerling, C.O. The crystal structure of potassium hydroxostannate and some related compounds. Arkiv foer Kemi, Mineralogi och Geologi, B 15 (1942) 1-6 Space group: R -3 :R Cell volume: 156.708 Cell parameters: 5.68; 5.68; 5.68; 70.1; 70.1; 70.1; |
| COD ID: 1534274 | |
| CIF file | Formula: - H6 K2 O6 Pt - Comments: Bjoerling, C.O. The crystal structure of potassium hydroxostannate and some related compounds. Arkiv foer Kemi, Mineralogi och Geologi, B 15 (1942) 1-6 Space group: R -3 :R Cell volume: 151.629 Cell parameters: 5.65; 5.65; 5.65; 69; 69; 69; |
| COD ID: 1534413 | |
| CIF file | Formula: - Ca2 O38 Ti16 Zn4 - Comments: Gatehouse, B.M.; Grey, I.E. The crystal structure of Ca2 Zn4 Ti16 O38 Journal of Solid State Chemistry 46 (1983) 151-155 Space group: R -3 :R Cell volume: 651.825 Cell parameters: 9.204; 9.204; 9.204; 68.65; 68.65; 68.65; |
| COD ID: 1534780 | |
| CIF file | Formula: - K4 N6 O12 Ru - Comments: Gromilov, S.A.; Emel'yanov, V.A.; Baidina, I.A.; Alekseev, V.I.; Belyaev, A.V. Synthesis and crystal structure of lithium and potassium hexanitroruthenates(II) Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 35 (1994) 171-177 Space group: R -3 :R Cell volume: 367.012 Cell parameters: 8.595; 8.595; 8.595; 52.23; 52.23; 52.23; |
| COD ID: 1534788 | |
| CIF file | Formula: - Cu2.1 Mo6 S4.5 Se3.5 - Comments: Selwyn, L.S.; McKinnon, W.R.; le Page, Y. Chalcogen rearrangement in the Chevrel compound In Mo6 Sez S8-z at 500 degrees C Physical Review, Serie 3. B - Condensed Matter (18,1978-) 42 (1990) 10427-10432 Space group: R -3 :R Cell volume: 288.473 Cell parameters: 6.632; 6.632; 6.632; 94.78; 94.78; 94.78; |
| COD ID: 1534790 | |
| CIF file | Formula: - Mo6 S4.4 Se3.6 - Comments: Selwyn, L.S.; McKinnon, W.R.; le Page, Y. Chalcogen rearrangement in the Chevrel compound In Mo6 Sez S8-z at 500 degrees C Physical Review, Serie 3. B - Condensed Matter (18,1978-) 42 (1990) 10427-10432 Space group: R -3 :R Cell volume: 276.818 Cell parameters: 6.521; 6.521; 6.521; 91.92; 91.92; 91.92; |
| COD ID: 1534793 | |
| CIF file | Formula: - In Mo6 S4.5 Se3.5 - Comments: Selwyn, L.S.; McKinnon, W.R.; le Page, Y. Chalcogen rearrangement in the Chevrel compound In Mo6 Sez S8-z at 500 degrees C Physical Review, Serie 3. B - Condensed Matter (18,1978-) 42 (1990) 10427-10432 Space group: R -3 :R Cell volume: 286.862 Cell parameters: 6.606; 6.606; 6.606; 93.22; 93.22; 93.22; |
| COD ID: 1534958 | |
| CIF file | Formula: - N9 Sb - Comments: Haiges, R.; Gerken, M.; Vij, A.; Boatz, J.A.; Schneider, S.; Schroer, T.; Christe, K.O. First structural characterization of binary As(III) and Sb(III) azides Chemistry - A European Journal 10 (2004) 508-517 Space group: R -3 :R Cell volume: 291.257 Cell parameters: 7.6998; 7.6998; 7.6998; 55.787; 55.787; 55.787; |
| COD ID: 1535105 | |
| CIF file | Formula: - Cu6 H12 O24 Si6 - Comments: Belokoneva, E.L.; Smirnitskaya, Yu.Ya.; Tsirel'son, V.G. Distribution of electron density in dioptase as the result of precisional X-ray diffraction study. Zhurnal Neorganicheskoi Khimii 37 (1992) 1588-1596 Space group: R -3 :R Cell volume: 448.523 Cell parameters: 8.818; 8.818; 8.818; 112.9; 112.9; 112.9; |
| COD ID: 1535271 | |
| CIF file | Formula: - Ni O3 Ti - Comments: Sullivan, D.C.; Pavlovic, A.S. Crystal structure determination of nickel and cobalt titanate Proceedings of the West Virginia Academy of Science 34 (1962) 173-173 Space group: R -3 :R Cell volume: 101.085 Cell parameters: 5.443; 5.443; 5.443; 55.12; 55.12; 55.12; |
| COD ID: 1535275 | |
| CIF file | Formula: - Co O3 Ti - Comments: Sullivan, D.C.; Pavlovic, A.S. Crystal structure determination of nickel and cobalt titanate Proceedings of the West Virginia Academy of Science 34 (1962) 173-173 Space group: R -3 :R Cell volume: 102.695 Cell parameters: 5.486; 5.486; 5.486; 54.83; 54.83; 54.83; |
| COD ID: 1539090 | |
| CIF file | Formula: - Fe O3 Ti - Comments: Shirane, G.; Pickart, S.J.; Nathans, R.; Ishikawa, Y. Neutron-diffraction study of antiferromagnetic Fe Ti O3 and its solid solutions with alpha-Fe2 O3 Journal of Physics and Chemistry of Solids 10 (1959) 35-43 Space group: R -3 :R Cell volume: 105.215 Cell parameters: 5.538; 5.538; 5.538; 54.68; 54.68; 54.68; |
| COD ID: 1539515 | |
| CIF file | Formula: - Eu2 H48 Mg3 N12 O60 - Comments: Akimov, V.M.; Yanovskii, A.I.; Novikov, N.K.; Struchkov, Yu.T.; Grigor'ev, Yu.A.; Molodkin, A.K. The crystal structure of magnesium europium nitrate-24-water Mg3 Eu2 (N O3)12 (H2 O)24 Zhurnal Neorganicheskoi Khimii 32 (1987) 1547-1552 Space group: R -3 :R Cell volume: 1193.38 Cell parameters: 13.117; 13.117; 13.117; 49.34; 49.34; 49.34; |
| COD ID: 1540303 | |
| CIF file | Formula: - Mo6 S8 Sr - Comments: Koppelhuber-Bitschnau, B.; Mautner, F.A.; Yvon, K. Low-temperature structural phase transition in Sr Mo6 S8 studied by x-tay powder diffraction Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 121 (1990) 505-509 Space group: R -3 :R Cell volume: 282.56 Cell parameters: 6.563; 6.563; 6.563; 88.998; 88.998; 88.998; |
| COD ID: 1540953 | |
| CIF file | Formula: - I1.76 Mo6 S5.96 - Comments: Shamrai, V.F.; Leitus, G.M.; Musatenko, A.Yu. Crystal structure of Mo6 S6 I2 Kristallografiya 33 (1988) 1289-1291 Space group: R -3 :R Cell volume: 278.622 Cell parameters: 6.552; 6.552; 6.552; 94.42; 94.42; 94.42; |
| COD ID: 1541189 | |
| CIF file | Formula: - Br Cs F6 - Comments: Mahjoub, A.R.; Seppelt, K.; Hoser, A.; Fuchs, J. Die Struktur von Br F6(-) und verwandten Verbindungen Angewandte Chemie (German Edition) 101 (1989) 1528-1529 Space group: R -3 :R Cell volume: 139.825 Cell parameters: 5.227; 5.227; 5.227; 96.501; 96.501; 96.501; |
| COD ID: 1548908 | |
| CIF file | Formula: - Al O4 P - Comments: Tinti, Gemma; Fröjdh, Erik; van Genderen, Eric; Gruene, Tim; Schmitt, Bernd; de Winter, D. A. Matthijs; Weckhuysen, Bert M.; Abrahams, Jan Pieter Electron crystallography with the EIGER detector IUCrJ 5(2) (2018) 190-199 Space group: R -3 :R Cell volume: 878.7 Cell parameters: 9.609; 9.609; 9.609; 94.46; 94.46; 94.46; |
| COD ID: 1566637 | |
| CIF file | Formula: - D2 O - Comments: Kamb, B.; Hamilton, W.C.; LaPlaca, S.J.; Prakash, A. Ordered Proton Configuration in Ice II, from Single - Crystal Neutron Diffraction The Journal of Chemical Physics 55 (1971) 1934 Space group: R -3 :R Cell volume: 304 Cell parameters: 7.78; 7.78; 7.78; 113.1; 113.1; 113.1; |
| COD ID: 2000149 | |
| CIF file | Formula: - C Ag N O - Comments: Britton, D. A redetermination of the trigonal silver fulminate structure Acta Crystallographica Section C 47(12) (1991) 2646-2647 Space group: R -3 :R Cell volume: 390.6 Cell parameters: 9.087; 9.087; 9.087; 115.73; 115.73; 115.73; |
| COD ID: 2000736 | |
| CIF file | Formula: - Mo6 S8 Sn0.854 - Comments: Le Lay, L.; Powell, D. R.; Willis, T. C. Structure of Sn~0.854~Mo~6~S~8~ Acta Crystallographica, Section C: Crystal Structure Communications 48(7) (1992) 1179-1182 Space group: R -3 :R Cell volume: 275.86 Cell parameters: 6.51; 6.51; 6.51; 89.47; 89.47; 89.47; |
| COD ID: 2005021 | |
| CIF file | Formula: - C29 H33 N3 - Comments: Herbstein, F. H.; Kapon, M.; Reisner, G. M. Comparison of the Geometries of 3,7,10-Tribenzyl-3,7,10-triaza[3.3.3]propellane, (1), 7,10-Dibenzyl-3-<i>p</i>-tolyl-3,7,10-triaza[3.3.3]propellane, (2), and 7,10-Dibenzyl-3-oxa-7,10-diaza[3.3.3]propellane, (3) Acta Crystallographica Section C 52(6) (1996) 1539-1543 Space group: R -3 :R Cell volume: 1211.9 Cell parameters: 11.354; 11.354; 11.354; 107.21; 107.21; 107.21; |
| COD ID: 2007485 | |
| CIF file | Formula: - C14 H14 N2 O3 - Comments: Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan 2-(4-Nitroanilino)-2-phenylethanol Acta Crystallographica Section C 54(7) (1998) 955-957 Space group: R -3 :R Cell volume: 2141 Cell parameters: 18.618; 18.618; 18.618; 118.34; 118.34; 118.34; |
| COD ID: 2008611 | |
| CIF file | Formula: - C12 H24 I Na O6 - Comments: Belsky, Vitaly K.; Maslennikova, Vera I. Sodium tris(1,4-dioxane) iodide Acta Crystallographica Section C 55(6) (1999) IUC9900057 Space group: R -3 :R Cell volume: 422.02 Cell parameters: 7.507; 7.507; 7.507; 92.29; 92.29; 92.29; |
| COD ID: 2010110 | |
| CIF file | Formula: - C66 H66 Ag3 Cl N18 Ni2 O9 - Comments: Černák, Juraj; Kaňuchová, Mária; Chomič, Jozef; Potočňák, Ivan; Kameníček, Jiří; Žák, Zdirad Bis[tris(bipyridine)nickel(II)] tris[dicyanoargentate(I)] chloride <i>n</i>-hydrate (<i>n</i> = 9) Acta Crystallographica Section C 50(10) (1994) 1563-1566 Space group: R -3 :R Cell volume: 1811.2 Cell parameters: 12.218; 12.218; 12.218; 86.01; 86.01; 86.01; |
| COD ID: 2100704 | |
| CIF file | Formula: - Ni4 Ti3 - Comments: Tirry, Wim; Schryvers, Dominique; Jorissen, Kevin; Lamoen, Dirk Electron-diffraction structure refinement of Ni~4~Ti~3~ precipitates in Ni~52~Ti~48~ Acta Crystallographica Section B 62(6) (2006) 966-971 Space group: R -3 :R Cell volume: 182.39 Cell parameters: 6.6695; 6.6695; 6.6695; 113.838; 113.838; 113.838; |
| COD ID: 2103405 | |
| CIF file | Formula: - C62 H70 N8 O6 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: R -3 :R Cell volume: 6636.45 Cell parameters: 28.042; 28.042; 28.042; 118.64; 118.64; 118.64; |
| COD ID: 2105387 | |
| CIF file | Formula: - Au Cl O - Comments: Rumpel, H.; Schwarzmann, E.; Jones, P.G.; Sheldrick, G.M. Gold(III) chloride oxide Acta Crystallographica B (24,1968-38,1982) 35 (1979) 2380-2381 Space group: R -3 :R Cell volume: 341.64 Cell parameters: 8.148; 8.148; 8.148; 113.45; 113.45; 113.45; |
| COD ID: 2105410 | |
| CIF file | Formula: - B3 Cl6 N3 - Comments: Mueller, U. Die Kristallstruktur von Hexachloroborazol Acta Crystallographica B (24,1968-38,1982) 27 (1971) 1997-2003 Space group: R -3 :R Cell volume: 232.37 Cell parameters: 6.151; 6.151; 6.151; 91.8; 91.8; 91.8; |
| COD ID: 2106254 | |
| CIF file | Formula: - F3 H4 N Sn - Comments: Bergerhoff, G.; Namgung, H. Ammonium-trifluorostannat(II) Acta Crystallographica B (24,1968-38,1982) 34 (1978) 699-700 Space group: R -3 :R Cell volume: 214.759 Cell parameters: 6.612; 6.612; 6.612; 62.27; 62.27; 62.27; |
| COD ID: 2106261 | |
| CIF file | Formula: - Mn0.83 Si0.11 - Comments: Brink-Shoemaker, C.; Shoemaker, D.P. Refinement of an R phase, Mn85.5 Si14.5 Acta Crystallographica B (24,1968-38,1982) 34 (1978) 701-705 Space group: R -3 :R Cell volume: 654.27 Cell parameters: 8.959; 8.959; 8.959; 74.7; 74.7; 74.7; |
| COD ID: 2106384 | |
| CIF file | Formula: - Mn O3 S - Comments: Magnusson, A.; Johansson, L.G. Rhombohedral manganese(II) sulfite Acta Crystallographica B (24,1968-38,1982) 37 (1981) 1400-1401 Space group: R -3 :R Cell volume: 384.489 Cell parameters: 7.912; 7.912; 7.912; 109.241; 109.241; 109.241; |
| COD ID: 2106831 | |
| CIF file | Formula: - H14 N2 O6 Pt - Comments: Bandel, G.; Platte, C.; Troemel, M. Ammonium-hexahydroxoplatinat(IV) und Strukturverfeinerung fuer Kalium-hexahydroxoplatinat(IV) Acta Crystallographica B (24,1968-38,1982) 38 (1982) 1544-1546 Space group: R -3 :R Cell volume: 169.954 Cell parameters: 5.668; 5.668; 5.668; 77.01; 77.01; 77.01; |
| COD ID: 2106832 | |
| CIF file | Formula: - H6 K2 O6 Pt - Comments: Bandel, G.; Platte, C.; Troemel, M. Ammonium-hexahydroxoplatinat(IV) und Strukturverfeinerung fuer Kalium-hexahydroxoplatinat(IV) Acta Crystallographica B (24,1968-38,1982) 38 (1982) 1544-1546 Space group: R -3 :R Cell volume: 152.371 Cell parameters: 5.658; 5.658; 5.658; 69.04; 69.04; 69.04; |
| COD ID: 2107175 | |
| CIF file | Formula: - Fe6 H28.164 K4.998 Na4.28 O63.722 S12 - Comments: Scordari, F. The structure of K3 (K.333 (H2 O).667)6 Na2 (Na.38 (H3 O).12 (H2 O).50)6 Fe6 O2 (S O4)12 (H2 O)6 and its relationship with the parent compound Acta Crystallographica B (24,1968-38,1982) 37 (1981) 312-317 Space group: R -3 :R Cell volume: 1383.53 Cell parameters: 18.225; 18.225; 18.225; 30.515; 30.515; 30.515; |
| COD ID: 2107420 | |
| CIF file | Formula: - Ba2 Bi2 O6 - Comments: Cox, D.E.; Sleight, A.W. Mixed-valent Ba2 Bi(III) Bi(V) O6: Structure and properties vs temperature Acta Crystallographica B (24,1968-38,1982) 35 (1979) 1-10 Space group: R -3 :R Cell volume: 660.619 Cell parameters: 8.7094; 8.7094; 8.7094; 90.265; 90.265; 90.265; |
| COD ID: 2205514 | |
| CIF file | Formula: - C2 H6 K2 N4 O5 - Comments: Arulsamy, Navamoney; Bohle, D. Scott Dipotassium ethane-1,1-diylbis(diazeniumdiolate) monohydrate Acta Crystallographica Section E 61(4) (2005) m764-m766 Space group: R -3 :R Cell volume: 1391 Cell parameters: 14.251; 14.251; 14.251; 116.402; 116.402; 116.402; |
| COD ID: 2209159 | |
| CIF file | Formula: - Ge O3 Pb - Comments: Yan Xu; Liying Cheng; Guangpeng Zhou; Yanli Wang Lead germanium oxide Acta Crystallographica Section E 62(6) (2006) i135-i137 Space group: R -3 :R Cell volume: 512.43 Cell parameters: 9.3282; 9.3282; 9.3282; 113.456; 113.456; 113.456; |
| COD ID: 2224196 | |
| CIF file | Formula: - Cu H O4 P - Comments: Günther, Christiane; Görls, Helmar; Stachel, Dörte Copper(II) hydrogenphosphate, CuHPO~4~ Acta Crystallographica Section E 65(12) (2009) i85 Space group: R -3 :R Cell volume: 495.88 Cell parameters: 9.5145; 9.5145; 9.5145; 114.678; 114.678; 114.678; |
| COD ID: 2310474 | |
| CIF file | Formula: - Cs F6 U - Comments: Rosenzweig, A.; Cromer, D.T. The crystal structure of Cs U F6 Acta Crystallographica (1,1948-23,1967) 23 (1967) 865-867 Space group: R -3 :R Cell volume: 156.608 Cell parameters: 5.417; 5.417; 5.417; 95.5; 95.5; 95.5; |
| COD ID: 2310633 | |
| CIF file | Formula: - Co O3 Ti - Comments: Mewnham, R.E.; Fang, J.H.; Santoro, R.P. Crystal structure and magnetic properties of Co Ti O3 Acta Crystallographica (1,1948-23,1967) 17 (1964) 240-242 Space group: R -3 :R Cell volume: 103.088 Cell parameters: 5.4846; 5.4846; 5.4846; 55; 55; 55; |
| COD ID: 2311965 | |
| CIF file | Formula: - C28 H32 N2 O4 - Comments: Quiroga, Jairo; Romo, Pablo; Cobo, Justo; Glidewell, Christopher Synthesis of spiro[indoline-3,3'-pyrrolizines] by 1,3-dipolar reactions between isatins, L-proline and electron-deficient alkenes. Acta crystallographica. Section C, Structural chemistry 73(Pt 12) (2017) 1109-1115 Space group: R -3 :R Cell volume: 3496.4 Cell parameters: 19.9182; 19.9182; 19.9182; 116.98; 116.98; 116.98; |
| COD ID: 3000242 | |
| CIF file is on hold until 2020-04-22 | Formula: - O4 Si Zn2 - Comments: Kanzaki, M. High-pressure phase relations in Zn2SiO4 system: A first-principles study (DFT optimized Zn2SiO4 willemite at 0 K) To be published () Space group: R -3 :R Cell volume: 519.775 Cell parameters: 8.6197; 8.6197; 8.6197; 107.896; 107.896; 107.896; |
| COD ID: 4001207 | |
| CIF file | Formula: - O12 Sc6 W - Comments: Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N. Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3 Chemistry of Materials 20(20) (2008) 6335 Space group: R -3 :R Cell volume: 221.22 Cell parameters: 6.13228; 6.13228; 6.13228; 98.928; 98.928; 98.928; |
| COD ID: 4001209 | |
| CIF file | Formula: - O12 Sc6 W - Comments: Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N. Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3 Chemistry of Materials 20(20) (2008) 6335 Space group: R -3 :R Cell volume: 221.594 Cell parameters: 6.13563; 6.13563; 6.13563; 98.9226; 98.9226; 98.9226; |
| COD ID: 4021172 | |
| CIF file | Formula: - C43 H47 Cl N2 O7 - Comments: Ana I. Oliva; Luis Simón; Francisco M. Muñiz; Francisca Sanz; Caridad Ruiz-Valero; Joaquń R. Morán Chromogenic Charge Transfer Cleft-Type Tetrahydrobenzoxanthene Enantioselective Receptors for Dinitrobenzoylamino Acids Journal of Organic Chemistry 69 (2004) 6883-6885 Space group: R -3 :R Cell volume: 6150 Cell parameters: 27.211; 27.211; 27.211; 118.6; 118.6; 118.6; |
| COD ID: 4030668 | |
| CIF file | Formula: - F6 H4 N Ta - Comments: Crimberg, C.; Strahle, J.; Laval, J.-P.; Frit, B.; Sonntag, R.; Ihringer, J. X-ray and neutron-diffraction study of NH4TaF6 European Journal of Solid State and Inorganic Chemistry 31 (1994) 449-462 Space group: R -3 :R Cell volume: 131.7 Cell parameters: 5.12; 5.12; 5.12; 96.23; 96.23; 96.23; |
| COD ID: 4031462 | |
| CIF file | Formula: - C6 H30 B6 I N12 Na - Comments: Hargrave, K.D.; Wisian-Neilson, P.; McPhail, A.T.; Spielvogel, B.F. Synthesis and crystal structure of hexakis(ammonia-cyanoborane) sodium iodide Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1977 (1977) 2150-2153 Space group: R -3 :R Cell volume: 601.044 Cell parameters: 8.506; 8.506; 8.506; 82.54; 82.54; 82.54; |
| COD ID: 4031639 | |
| CIF file | Formula: - F6 K Os - Comments: Hepworth, M.A.; Jack, K.H.; Westland, G.J. Structures of complex fluorides - I. Potassium hexafluoroosmate(V), K Os F6 Journal of Inorganic and Nuclear Chemistry 2 (1956) 79-87 Space group: R -3 :R Cell volume: 121.129 Cell parameters: 4.991; 4.991; 4.991; 97.18; 97.18; 97.18; |
| COD ID: 4061914 | |
| CIF file | Formula: - C11 H4 F4 Hg2 N2 O - Comments: Organometallics (2003) Space group: R -3 :R Cell volume: 1967.6 Cell parameters: 15.418; 15.418; 15.418; 115.434; 115.434; 115.434; |
| COD ID: 4062167 | |
| CIF file | Formula: - C40 H60 O6 Ru4 Si4 - Comments: Organometallics (2003) Space group: R -3 :R Cell volume: 3263.3 Cell parameters: 17.8969; 17.8969; 17.8969; 114.809; 114.809; 114.809; |
| COD ID: 4068574 | |
| CIF file | Formula: - C22.17 H37.33 Al3 N3 - Comments: Pi, Chengfu; Wan, Li; Wu, Haoyu; Gu, Yingying; Zheng, Wenjun; Weng, Linhong; Chen, Zhenxia; Wu, Limin Synthesis of Fused Aminocarbaaluminum Hydrides by the Hydroalumination of Bulky Isocyanides⊥ Organometallics 28(4) (2009) 1263 Space group: R -3 :R Cell volume: 3846.6 Cell parameters: 16.422; 16.422; 16.422; 105.299; 105.299; 105.299; |
| COD ID: 4073297 | |
| CIF file | Formula: - C4 H5 F3 O3 Pd S - Comments: Chernyshova, Eleonora S.; Goddard, Richard; Pörschke, Klaus-Richard Mononuclear NHC−Pd−π-Allyl Complexes Containing Weakly Coordinating Ligands Organometallics 26(13) (2007) 3236 Space group: R -3 :R Cell volume: 1225.8 Cell parameters: 12.3337; 12.3337; 12.3337; 112.92; 112.92; 112.92; |
| COD ID: 4079916 | |
| CIF file | Formula: - C63 H63 B I3 P3 - Comments: Song, Ki Cheol; Lee, Kang Mun; Nghia, Nguyen Van; Sung, Woo Young; Do, Youngkyu; Lee, Min Hyung Synthesis and Anion Binding Properties of Multi-phosphonium Triarylboranes: Selective Sensing of Cyanide Ions in Buffered Water at pH 7 Organometallics 32(3) (2013) 817 Space group: R -3 :R Cell volume: 3222.54 Cell parameters: 14.7733; 14.7733; 14.7733; 91.08; 91.08; 91.08; |
| COD ID: 4083583 | |
| CIF file | Formula: - C26 H29 N5 - Comments: Johnson, Kevin R. D.; Kamenz, Breanne L.; Hayes, Paul G. Bis(pyrazolyl)carbazole as a Versatile Ligand for Supporting Lutetium Alkyl and Hydride Complexes Organometallics 33(12) (2014) 3005 Space group: R -3 :R Cell volume: 3416.6 Cell parameters: 18.344; 18.344; 18.344; 115.12; 115.12; 115.12; |
| COD ID: 4088601 | |
| CIF file | Formula: - C186 H330 Dy6 N24 Si24 - Comments: Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes Organometallics 35(11) (2016) 1838 Space group: R -3 :R Cell volume: 8430.9 Cell parameters: 20.5316; 20.5316; 20.5316; 82.13; 82.13; 82.13; |
| COD ID: 4100206 | |
| CIF file | Formula: - C84.5 H111 N3 O3.5 U - Comments: Journal of the American Chemical Society (2005) Space group: R -3 :R Cell volume: 3732 Cell parameters: 16.0236; 16.0236; 16.0236; 74.445; 74.445; 74.445; |
| COD ID: 4100207 | |
| CIF file | Formula: - C28 H37 N1.5 O U0.33 - Comments: Journal of the American Chemical Society (2005) Space group: R -3 :R Cell volume: 3772.4 Cell parameters: 16.1204; 16.1204; 16.1204; 73.85; 73.85; 73.85; |
| COD ID: 4101778 | |
| CIF file | Formula: - C293 H221 Cl93 F36 N24 O12 P6 Ru6 Se24 - Comments: Alexander Laskavy; Linda J. W. Shimon; Leonid Konstantinovski; Mark A. Iron; Ronny Neumann Activation of Molecular Oxygen by a Dioxygenase Pathway by a Ruthenium Bis-bipyridine Compound with a Proximal Selenium Site Journal of the American Chemical Society 132 (2010) 517-523 Space group: R -3 :R Cell volume: 9956 Cell parameters: 21.8438; 21.8438; 21.8438; 99.34; 99.34; 99.34; |
| COD ID: 4105365 | |
| CIF file | Formula: - C103 H90 Au6 B2 F8 N6 O3 P6 - Comments: Jian-Hua Jia; Quan-Ming Wang Intensely Luminescent Gold(I)-Silver(I) Cluster with Hypercoordinated Carbon Journal of the American Chemical Society 131 (2009) 16634-16635 Space group: R -3 :R Cell volume: 2579.48 Cell parameters: 14.99; 14.99; 14.99; 63.763; 63.763; 63.763; |
| COD ID: 4110981 | |
| CIF file | Formula: - C34 H36 Al N O4 - Comments: Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade Facile Synthesis of Monomeric Alumatranes Journal of the American Chemical Society 128 (2006) 13727-13735 Space group: R -3 :R Cell volume: 1508.8 Cell parameters: 11.7638; 11.7638; 11.7638; 76.338; 76.338; 76.338; |
| COD ID: 4111868 | |
| CIF file | Formula: - C60 H18 N12 O6 Re6 S36 Se8 - Comments: Stéphane A. Baudron; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Vladimir Laukhin; Roberto Melzi; Pawel Wzietek; Denis Jérome; Pascale Auban-Senzier; Sylvain Ravy (EDT-TTF-CONH2)6[Re6Se8(CN)6], a Metallic Kagome-Type Organic-Inorganic Hybrid Compound: Electronic Instability, Molecular Motion, and Charge Localization Journal of the American Chemical Society 127 (2005) 11785-11797 Space group: R -3 :R Cell volume: 2474.5 Cell parameters: 15.0192; 15.0192; 15.0192; 61.465; 61.465; 61.465; |
| COD ID: 4115531 | |
| CIF file | Formula: - C25.33333 H16.33333 Br N4 O8 - Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445 Space group: R -3 :R Cell volume: 3662.8 Cell parameters: 15.437; 15.437; 15.437; 93.02; 93.02; 93.02; |
| COD ID: 4115532 | |
| CIF file | Formula: - C26 H18.33 N4.33 O8.33 - Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445 Space group: R -3 :R Cell volume: 3666.4 Cell parameters: 15.427; 15.427; 15.427; 91.73; 91.73; 91.73; |
| COD ID: 4116278 | |
| CIF file | Formula: - C12 H14 I6 N2 Pb2 - Comments: Zhongjia Tang; Arnold M. Guloy A Methylviologen Lead(II) Iodide: Novel [PbI3-]∞Chains with Mixed Octahedral and Trigonal Prismatic Coordination Journal of the American Chemical Society 121 (1999) 452-453 Space group: R -3 :R Cell volume: 1816.23 Cell parameters: 12.3729; 12.3729; 12.3729; 79.96; 79.96; 79.96; |
| COD ID: 4120388 | |
| CIF file | Formula: - C15 H19 N3 O4 - Comments: Jaeyune Ryu; Jaesung Kwak; Kwangmin Shin; Donggun Lee; Sukbok Chang Ir(III)-Catalyzed Mild C-H Amidation of Arenes and Alkenes: An Efficient Usage of Acyl Azides as the Nitrogen Source Journal of the American Chemical Society 135 (2013) 12861-12868 Space group: R -3 :R Cell volume: 2416.9 Cell parameters: 15.5832; 15.5832; 15.5832; 113.28; 113.28; 113.28; |
| COD ID: 4312885 | |
| CIF file | Formula: - C20 H19 N8 O9 Tb - Comments: Xiao-Ping Yang; Bei-Sheng Kang; Wai-Kwok Wong; Cheng-Yong Su; Han-Qin Liu Syntheses, Crystal Structures, and Luminescent Properties of Lanthanide Complexes with Tripodal Ligands Bearing Benzimidazole and Pyridine Groups Inorganic Chemistry 42 (2003) 169-179 Space group: R -3 :R Cell volume: 4928 Cell parameters: 17.275; 17.275; 17.275; 99.268; 99.268; 99.268; |
| COD ID: 4317573 | |
| CIF file | Formula: - C47 H59 Al4 F27 O22 Si3 - Comments: Hagen Hatop; Marilena Ferbinteanu; Herbert W. Roesky; Fanica Cimpoesu; Marcus Schiefer; Hans-Georg Schmidt; Mathias Noltemeyer Lightest Member of the Basic Carboxylate Structural Pattern: [Al3(μ3-O)(μ-O2CCF3)6(THF)3][(Me3Si)3CAl(O2CCF3)3].C7H8 Inorganic Chemistry 41 (2002) 1022-1025 Space group: R -3 :R Cell volume: 3679.3 Cell parameters: 18.313; 18.313; 18.313; 53.472; 53.472; 53.472; |
| COD ID: 4319704 | |
| CIF file | Formula: - C8 H28 N4 Ni O9 V2 - Comments: Junghwan Do; Allan J. Jacobson Nickel Vanadate Nanotubes: Synthesis and Crystal Structure of [Ni(C8H22N4)](VO3)2.3H2O Inorganic Chemistry 40 (2001) 2468-2469 Space group: R -3 :R Cell volume: 1469.76 Cell parameters: 14.4133; 14.4133; 14.4133; 116.236; 116.236; 116.236; |
| COD ID: 4320295 | |
| CIF file | Formula: - C30 H44 B2 N12 Sm - Comments: Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes Inorganic Chemistry 40 (2001) 5106-5116 Space group: R -3 :R Cell volume: 906.8 Cell parameters: 10.612; 10.612; 10.612; 63.3; 63.3; 63.3; |
| COD ID: 4320296 | |
| CIF file | Formula: - C30 H44 B2 N12 Yb - Comments: Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes Inorganic Chemistry 40 (2001) 5106-5116 Space group: R -3 :R Cell volume: 884.8 Cell parameters: 10.51; 10.51; 10.51; 63.52; 63.52; 63.52; |
| COD ID: 4320297 | |
| CIF file | Formula: - C30 H44 B2 Eu N12 - Comments: Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes Inorganic Chemistry 40 (2001) 5106-5116 Space group: R -3 :R Cell volume: 902.5 Cell parameters: 10.581; 10.581; 10.581; 63.5; 63.5; 63.5; |
| COD ID: 4322910 | |
| CIF file | Formula: - C117 H159 Cl3 Mn7 O38 - Comments: Gian Luca Abbati; Andrea Cornia; Antonio C. Fabretti; Andrea Caneschi; Dante Gatteschi Structure and Magnetic Properties of a Mixed-Valence Heptanuclear Manganese Cluster Inorganic Chemistry 37 (1998) 3759-3766 Space group: R -3 :R Cell volume: 2992.6 Cell parameters: 14.439; 14.439; 14.439; 86.34; 86.34; 86.34; |
| COD ID: 4322912 | |
| CIF file | Formula: - C109 H127 Cl3 Mn7 O30 - Comments: Gian Luca Abbati; Andrea Cornia; Antonio C. Fabretti; Andrea Caneschi; Dante Gatteschi Structure and Magnetic Properties of a Mixed-Valence Heptanuclear Manganese Cluster Inorganic Chemistry 37 (1998) 3759-3766 Space group: R -3 :R Cell volume: 3072.7 Cell parameters: 14.576; 14.576; 14.576; 85.773; 85.773; 85.773; |
| COD ID: 4328767 | |
| CIF file | Formula: - C72 H30 N32.11 Np12 O159 P24 Rb3.89 - Comments: Juan Diwu; Shuao Wang; Thomas E. Albrecht-Schmitt Periodic Trends in Hexanuclear Actinide Clusters Inorganic Chemistry 51 (2012) 4088-4093 Space group: R -3 :R Cell volume: 4958.9 Cell parameters: 17.1998; 17.1998; 17.1998; 97.14; 97.14; 97.14; |
| COD ID: 4328768 | |
| CIF file | Formula: - C36 H24 Cs4 N16 O79 P12 U6 - Comments: Juan Diwu; Shuao Wang; Thomas E. Albrecht-Schmitt Periodic Trends in Hexanuclear Actinide Clusters Inorganic Chemistry 51 (2012) 4088-4093 Space group: R -3 :R Cell volume: 4988.9 Cell parameters: 17.253; 17.253; 17.253; 97.55; 97.55; 97.55; |
| COD ID: 4334229 | |
| CIF file | Formula: - C60 H42 N12 O6 Os0 Re6 S36 Se8 - Comments: Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6] Inorganic Chemistry 52 (2013) 3326-3333 Space group: R -3 :R Cell volume: 2468.1 Cell parameters: 15.017; 15.017; 15.017; 61.366; 61.366; 61.366; |
| COD ID: 4334230 | |
| CIF file | Formula: - C60 H42 N12 O6 Os0 Re6 S36 Se8 - Comments: Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6] Inorganic Chemistry 52 (2013) 3326-3333 Space group: R -3 :R Cell volume: 2448.7 Cell parameters: 14.9978; 14.9978; 14.9978; 61.178; 61.178; 61.178; |
| COD ID: 4334232 | |
| CIF file | Formula: - C60 H42 N12 O6 Re6 S36 Se8 - Comments: Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6] Inorganic Chemistry 52 (2013) 3326-3333 Space group: R -3 :R Cell volume: 2462.61 Cell parameters: 15.0012; 15.0012; 15.0012; 61.409; 61.409; 61.409; |
| COD ID: 4334233 | |
| CIF file | Formula: - C60 H42 N12 O6 Re6 S36 Se8 - Comments: Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6] Inorganic Chemistry 52 (2013) 3326-3333 Space group: R -3 :R Cell volume: 2387.12 Cell parameters: 14.8819; 14.8819; 14.8819; 61.078; 61.078; 61.078; |
| COD ID: 4338650 | |
| CIF file | Formula: - C120 H108 Cd6 Co3 N45 O53 - Comments: Mishra, Anurag; Ali, Afsar; Upreti, Shailesh; Whittingham, M. Stanley; Gupta, Rajeev Cobalt Complex as Building Blocks: Synthesis, Characterization, and Catalytic Applications of {Cd2±-Co3±-Cd2+} and {Hg2±-Co3±-Hg2+} Heterobimetallic Complexes Inorganic chemistry 48(12) (2009) 5234-5243 Space group: R -3 :R Cell volume: 8769 Cell parameters: 22.953; 22.953; 22.953; 110.933; 110.933; 110.933; |
| COD ID: 4343593 | |
| CIF file | Formula: - Ce0.82 Mo6 Se8 - Comments: le Berre, F.; Hamard, C.; Pena, O.; Wojakowski, A. Structural studies on single crystals of Chevrel phase selenides RE Mo6 Se8 (RE= La, Ce, Pr, Nd, or Sm) at 298 K Inorganic Chemistry 39 (2000) 1100-1105 Space group: R -3 :R Cell volume: 306.088 Cell parameters: 6.7407; 6.7407; 6.7407; 88.83; 88.83; 88.83; |
| COD ID: 4343594 | |
| CIF file | Formula: - Ce0.92 Mo6 Se8 - Comments: le Berre, F.; Hamard, C.; Pena, O.; Wojakowski, A. Structural studies on single crystals of Chevrel phase selenides RE Mo6 Se8 (RE= La, Ce, Pr, Nd, or Sm) at 298 K Inorganic Chemistry 39 (2000) 1100-1105 Space group: R -3 :R Cell volume: 306.941 Cell parameters: 6.7473; 6.7473; 6.7473; 88.69; 88.69; 88.69; |
| COD ID: 4343595 | |
| CIF file | Formula: - Mo6 Pr0.86 Se8 - Comments: le Berre, F.; Hamard, C.; Pena, O.; Wojakowski, A. Structural studies on single crystals of Chevrel phase selenides RE Mo6 Se8 (RE= La, Ce, Pr, Nd, or Sm) at 298 K Inorganic Chemistry 39 (2000) 1100-1105 Space group: R -3 :R Cell volume: 305.782 Cell parameters: 6.7385; 6.7385; 6.7385; 88.81; 88.81; 88.81; |
| COD ID: 4343596 | |
| CIF file | Formula: - Mo6 Nd0.85 Se8 - Comments: le Berre, F.; Hamard, C.; Pena, O.; Wojakowski, A. Structural studies on single crystals of Chevrel phase selenides RE Mo6 Se8 (RE= La, Ce, Pr, Nd, or Sm) at 298 K Inorganic Chemistry 39 (2000) 1100-1105 Space group: R -3 :R Cell volume: 304.449 Cell parameters: 6.7286; 6.7286; 6.7286; 88.85; 88.85; 88.85; |
| COD ID: 4343597 | |
| CIF file | Formula: - Mo6 Se8 Sm0.87 - Comments: le Berre, F.; Hamard, C.; Pena, O.; Wojakowski, A. Structural studies on single crystals of Chevrel phase selenides RE Mo6 Se8 (RE= La, Ce, Pr, Nd, or Sm) at 298 K Inorganic Chemistry 39 (2000) 1100-1105 Space group: R -3 :R Cell volume: 303.071 Cell parameters: 6.7182; 6.7182; 6.7182; 88.956; 88.956; 88.956; |
| COD ID: 4350720 | |
| CIF file | Formula: - C111.5 H138.5 Cl1.5 F6 Fe6 Li O33 P - Comments: Abbati, Gian Luca; Cornia, Andrea; Fabretti, Antonio C.; Malavasi, Wanda; Schenetti, Luisa; Caneschi, Andrea; Gatteschi, Dante Modulated Magnetic Coupling in Alkoxoiron(III) Rings by Host−Guest Interactions with Alkali Metal Cations Inorganic Chemistry 36(27) (1997) 6443 Space group: R -3 :R Cell volume: 3021.3 Cell parameters: 14.523; 14.523; 14.523; 84.35; 84.35; 84.35; |
| COD ID: 4503065 | |
| CIF file | Formula: - C10 H12 Ag F3 N4 O3 S - Comments: Jin, Chuan-Ming; Wu, Ling-Yan; Lu, Huang; Xu, Yan Two Distinct Supramolecular Motifs from Bis(2-methylimidazo-1-yl) Methane: An Infinite [n]Catenane and A Discrete M6 Metal-Organic Framework Crystal Growth & Design 8(1) (2008) 215 Space group: R -3 :R Cell volume: 2572.6 Cell parameters: 17.6984; 17.6984; 17.6984; 116.66; 116.66; 116.66; |
| COD ID: 4504089 | |
| CIF file | Formula: - C28 H29.67 N11 O7.33 Zn - Comments: Chi, Yingnan; Huang, Kunlin; Zhang, Shaowen; Cui, Fengyun; Xu, Yanqing; Hu, Changwen Self-Assembly of a CsCl-like 3D Supramolecular Network from [Zn6(HL)6(H2L)6]6+Metallamacrocycles and (H2O)20Clusters (H2L = 4-(2-Pyridyl)-6-(4-pyridyl)-2-aminopyrimidine) Crystal Growth & Design 7(12) (2007) 2449 Space group: R -3 :R Cell volume: 4786 Cell parameters: 16.931; 16.931; 16.931; 95.34; 95.34; 95.34; |
| COD ID: 5910000 | |
| CIF file | Formula: - Mg O3 Ti - Comments: Wyckoff, R. W. G. Pages 55 & 61 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold Publishing Corporation, INC,Camden,N. J. in 1935 The second edition supplement of The Structure of Crystals (1935) 55-61 Space group: R -3 :R Cell volume: 104.499 Cell parameters: 5.54; 5.54; 5.54; 54.65; 54.65; 54.65; |
| COD ID: 7003611 | |
| CIF file | Formula: - C78 H210 Ag Ge18 Li O6 Si24 - Comments: Schenk, Christian; Henke, Florian; Santiso-Quiñones, Gustavo; Krossing, Ingo; Schnepf, Andreas [Si(SiMe3)3]6Ge18M (M = Cu, Ag, Au): metalloid cluster compounds as unusual building blocks for a supramolecular chemistry Dalton Transactions (issue 33) (2008) 4436-4441 Space group: R -3 :R Cell volume: 3727 Cell parameters: 15.6343; 15.6343; 15.6343; 97.049; 97.049; 97.049; |
| COD ID: 7003612 | |
| CIF file | Formula: - C78 H210 Cu Ge18 Li O6 Si24 - Comments: Schenk, Christian; Henke, Florian; Santiso-Quiñones, Gustavo; Krossing, Ingo; Schnepf, Andreas [Si(SiMe3)3]6Ge18M (M = Cu, Ag, Au): metalloid cluster compounds as unusual building blocks for a supramolecular chemistry Dalton Transactions (issue 33) (2008) 4436-4441 Space group: R -3 :R Cell volume: 3734.2 Cell parameters: 15.6548; 15.6548; 15.6548; 97.309; 97.309; 97.309; |
| COD ID: 7009121 | |
| CIF file | Formula: - C12 H24.6 Mo2 N2 O0.3 S7 - Comments: Davies, Sian C.; Hughes, David L.; Richards, Raymond L.; Sanders, J. Roger Molybdenum and tungsten complexes of the N(CH2CH2S)33− (NS3) ligand with oxide, sulfide, diazenide, hydrazide and nitrosyl co-ligands Journal of the Chemical Society, Dalton Transactions (issue 5) (2000) 719 Space group: R -3 :R Cell volume: 543.74 Cell parameters: 8.3292; 8.3292; 8.3292; 77.833; 77.833; 77.833; |
| COD ID: 7010804 | |
| CIF file | Formula: - C56 H54 Cl2 N6 O2.2 P2.33 Ru - Comments: Field, Leslie D.; Messerle, Barbara A.; Soler, Linnea; Buys, Irmi E.; Hambley, Trevor W. Polypyrazolylmethane complexes of ruthenium Journal of the Chemical Society, Dalton Transactions (issue 13) (2001) 1959-1965 Space group: R -3 :R Cell volume: 8024 Cell parameters: 20.022; 20.022; 20.022; 90.73; 90.73; 90.73; |
| COD ID: 7011606 | |
| CIF file | Formula: - C42 H48 Cl2 N12 O8 Zn - Comments: Fan, Jian; Sui, Bin; Okamura, Taka-aki; Sun, Wei-Yin; Tang, Wen-Xia; Ueyama, Norikazu Synthesis, structures and properties of two-dimensional honeycomb and stepwise networks from self-assembly of tripodal ligand 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene with metal salts Journal of the Chemical Society, Dalton Transactions (issue 20) (2002) 3868-3873 Space group: R -3 :R Cell volume: 1190.71 Cell parameters: 13.5818; 13.5818; 13.5818; 46.194; 46.194; 46.194; |
| COD ID: 7015112 | |
| CIF file | Formula: - C15 H30 Cu3 I N6 O S6 W - Comments: Beheshti, Azizollah; Clegg, William; Khorramdin, Rahman; Nobakht, Valiollah; Russo, Luca Synthesis and structural characterization of mixed-metal complexes of Cu(I) with MOS3 cores (M = Mo, W) and of an unusual polymeric AgI/mercaptoimidazole complex with five different Ag(I) coordination environments. Dalton transactions (Cambridge, England : 2003) 40(12) (2011) 2815-2821 Space group: R -3 :R Cell volume: 1548 Cell parameters: 12.8515; 12.8515; 12.8515; 61.399; 61.399; 61.399; |
| COD ID: 7017243 | |
| CIF file | Formula: - C37.25 H31.38 Cl3 N0.13 S6 Sb2 - Comments: Fontenot, Sean A.; Cangelosi, Virginia M.; Pitt, Melanie A. W.; Sather, Aaron C.; Zakharov, Lev N.; Berryman, Orion B.; Johnson, Darren W. Design, synthesis and characterization of self-assembled As(2)L(3) and Sb(2)L(3) cryptands. Dalton transactions (Cambridge, England : 2003) 40(45) (2011) 12125-12131 Space group: R -3 :R Cell volume: 7831.4 Cell parameters: 21.0255; 21.0255; 21.0255; 69.14; 69.14; 69.14; |
| COD ID: 7017661 | |
| CIF file | Formula: - C19 H18 N2 S Si Te - Comments: Kobelt, Claudia; Burschka, Christian; Bertermann, Rüdiger; Fonseca Guerra, C.; Bickelhaupt, F. Matthias; Tacke, Reinhold Synthesis and structural characterisation of neutral pentacoordinate silicon(iv) complexes with a tridentate dianionic N,N,S chelate ligand. Dalton transactions (Cambridge, England : 2003) 41(7) (2012) 2148-2162 Space group: R -3 :R Cell volume: 2870 Cell parameters: 18.327; 18.327; 18.327; 116.627; 116.627; 116.627; |
| COD ID: 7022863 | |
| CIF file | Formula: - C52 H79 Cl3 N2 O3 Pd - Comments: Adeyi, Okoh; Cross, Warren B.; Forrest, Gregory; Godfrey, Luke; Hope, Eric G.; McLeod, Andrew; Singh, Amandeep; Singh, Kuldip; Solan, Gregory A.; Wang, Yining; Wright, Luka A. From discrete monomeric complexes to hydrogen-bonded dimeric assemblies based on sterically encumbered square planar palladium(II) ONN-pincers. Dalton transactions (Cambridge, England : 2003) 42(21) (2013) 7710-7723 Space group: R -3 :R Cell volume: 5952 Cell parameters: 22.469; 22.469; 22.469; 115.655; 115.655; 115.655; |
| COD ID: 7027802 | |
| CIF file | Formula: - C30 H30 Cl Fe N O6 P2 Pd Si - Comments: Braunstein, Pierre; Durand, Jérôme; Kickelbick, Guido; Knorr, Michael; Morise, Xavier; Pugin, Raphael; Tiripicchio, Antonio; Ugozzoli, Franco Hydrocarbyl derivatives of dppm- or dppa-bridged alkoxysilyl heterobimetallic Fe‒Pd complexes and CO insertion reactions. Crystal structures of [(OC)3{(MeO)3Si}Fe(μ-dppm)Pd(8-mq)] (dppm = Ph2PCH2PPh2), [(OC)3Fe{μ-Si(OMe)2(OMe)}(μ-dppa)PdCl] and [(OC)3Fe{μ-Si(OMe)2(OMe)}(μ-dppa)PdPh] (dppa = Ph2PNHPPh2) † Journal of the Chemical Society, Dalton Transactions (issue 23) (1999) 4175 Space group: R -3 :R Cell volume: 5176 Cell parameters: 25.113; 25.113; 25.113; 118.39; 118.39; 118.39; |
| COD ID: 7029900 | |
| CIF file | Formula: - C69 H60 N3 O9 Tb - Comments: Raphael, Shyni; Reddy, M. L. P.; Vasudevan, Kalyan V.; Cowley, Alan H. Synthesis, crystal structure and photophysical properties of lanthanide coordination polymers of 4-[4-(9H-carbazol-9-yl)butoxy]benzoate: the effect of bidentate nitrogen donors on luminescence. Dalton transactions (Cambridge, England : 2003) 41(48) (2012) 14671-14682 Space group: R -3 :R Cell volume: 2856 Cell parameters: 18.865; 18.865; 18.865; 117.22; 117.22; 117.22; |
| COD ID: 7030482 | |
| CIF file | Formula: - C22 H29.08 Cl Cu N2 O1.04 - Comments: Barwiolek, Magdalena; Szlyk, Edward; Berg, Andrzej; Wojtczak, Andrzej; Muziol, Tadeusz; Jezierska, Julia Structural studies of copper(ii) complexes with 2-(2-aminoethyl)pyridine derived Schiff bases and application as precursors of thin organic-inorganic layers. Dalton transactions (Cambridge, England : 2003) 43(26) (2014) 9924-9933 Space group: R -3 :R Cell volume: 3362.1 Cell parameters: 15.8718; 15.8718; 15.8718; 106.639; 106.639; 106.639; |
| COD ID: 7033000 | |
| CIF file | Formula: - C81 H96 Mo N4 O3 - Comments: Marshall-Roth, Travis; Brown, Seth N. Redox activity and π bonding in a tripodal seven-coordinate molybdenum(VI) tris(amidophenolate). Dalton transactions (Cambridge, England : 2003) 44(2) (2015) 677-685 Space group: R -3 :R Cell volume: 3645.55 Cell parameters: 17.2078; 17.2078; 17.2078; 60.523; 60.523; 60.523; |
| COD ID: 7043180 | |
| CIF file | Formula: - C192 H248.6 Ce21 N21 O118.8 - Comments: Canaj, Angelos; Siczek, Milosz; Lis, Tadeusz; Murrie, Mark; Brechin, Euan K.; Milios, Constantinos J. A [Ce21] Keplerate Dalton Trans. (2017) Space group: R -3 :R Cell volume: 7617 Cell parameters: 20.83; 20.83; 20.83; 106.55; 106.55; 106.55; |
| COD ID: 7050538 | |
| CIF file | Formula: - C25 H19 N O2 - Comments: Gisbert Grossmann; Marek J. Potrzebowski; Sebastian Olejniczak; Natasza E. Ziółkowska; Grzegorz D. Bujacz; Wlodzimierz Ciesielski; Wiktor Prezdo; Valerii Nazarov; Vladislav Golovko Structural studies of N-(2'-substituted phenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximides by X-ray diffraction and NMR spectroscopy—proofs for CH/π interactions in liquid and solid phases New J. Chem. 27(7) (2003) 1095-1101 Space group: R -3 :R Cell volume: 2879 Cell parameters: 18.949; 18.949; 18.949; 117.25; 117.25; 117.25; |
| COD ID: 7051019 | |
| CIF file | Formula: - Cl9 H4 K O2 Re6 Se5 - Comments: Santiago Uriel; Kamal Boubekeur; Patrick Batail; Jesus Orduna; André Perrin Inertness of the [Re6Se5Cl3]5+ cluster core to substitution by OH− in organic solutions: synthesis, structural and liquid secondary ion mass spectroscopy characterization of K(H2O)2[Re6Se5Cl9] and (n-Bu4N)[Re6Se5Cl9] and the crystal structure of (n-Bu4N)2[Re6Se6Cl8] New J. Chem. 25(5) (2001) 737-740 Space group: R -3 :R Cell volume: 557.92 Cell parameters: 8.892; 8.892; 8.892; 65.63; 65.63; 65.63; |
| COD ID: 7052044 | |
| CIF file | Formula: - C40 H72 Cl2 O4 Yb2 - Comments: Marc D. Walter; Dirk Bentz; Frank Weber; Oliver Schmitt; Gotthelf Wolmershäuser; Helmut Sitzmann Cation size dependent reactivity of lanthanide trihalides with bulky alkylcyclopentadienyl anions New Journal of Chemistry 31(2) (2007) 305 Space group: R -3 :R Cell volume: 3307.3 Cell parameters: 16.2836; 16.2836; 16.2836; 109.604; 109.604; 109.604; |
| COD ID: 7053784 | |
| CIF file | Formula: - C64 H102 O17 - Comments: Kulikov, Oleg V.; Rath, Nigam P.; Zhou, Dan; Carasel, I. Alexandru; Gokel, George W. Guest molecule entrapment by both capsule and hydrocarbon sidechains in self-assembled pyrogallol[4]arenes New Journal of Chemistry 33(7) (2009) 1563 Space group: R -3 :R Cell volume: 9940 Cell parameters: 21.5048; 21.5048; 21.5048; 91.042; 91.042; 91.042; |
| COD ID: 7054241 | |
| CIF file | Formula: - C25 H19 N O2 - Comments: Seisenbaeva, Gulaim A.; Gohil, Suresh; Jansson, Kjell; Herbst, Konrad; Brorson, Michael; Kessler, Vadim G. Solution interaction of O-donor ligand metal complexes with thiocarbonyl compounds?a new general route to metal sulfide materials New Journal of Chemistry 27(7) (2003) 1059 Space group: R -3 :R Cell volume: 2879 Cell parameters: 18.949; 18.949; 18.949; 117.25; 117.25; 117.25; |
| COD ID: 7104061 | |
| CIF file | Formula: - C198 H290 N12 O86 P12 - Comments: Coleman, Anthony W.; Silva, Eric Da; Nouar, Farid; Nierlich, Martine; Navaza, Alda The structure of a self-assembled calixarene aqua-channel system Chemical Communications (Cambridge, United Kingdom) (issue 7) (2003) 826-827 Space group: R -3 :R Cell volume: 6019.1 Cell parameters: 19.175; 19.175; 19.175; 106.039; 106.039; 106.039; |
| COD ID: 7204583 | |
| CIF file | Formula: - C44 H8.67 F20 N4 O0.33 Pt - Comments: Che, Chi-Ming; Hou, Yuan-Jun; Chan, Michael C. W.; Guo, Jianhua; Liu, Yu; Wang, Yue [meso-Tetrakis(pentafluorophenyl)porphyrinato]platinum(II) as an efficient, oxidation-resistant red phosphor: spectroscopic properties and applications in organic light-emitting diodes Journal of Materials Chemistry 13(6) (2003) 1362-1366 Space group: R -3 :R Cell volume: 2903.8 Cell parameters: 14.2727; 14.2727; 14.2727; 88.309; 88.309; 88.309; |
| COD ID: 7206325 | |
| CIF file | Formula: - C12 H66 As2 N12 O72 W18 Zn6 - Comments: Niu, Jing-Yang; Ma, Xiang; Zhao, Jun-Wei; Ma, Peng-Tao; Zhang, Chao; Wang, Jing-Ping A novel organic‒inorganic hybrid turbine-shaped hexa-Zn sandwiched tungstoarsenate(iii) CrystEngComm 13(15) (2011) 4834 Space group: R -3 :R Cell volume: 2040.5 Cell parameters: 13.175; 13.175; 13.175; 104; 104; 104; |
| COD ID: 7234492 | |
| CIF file | Formula: - C18 H12 Br15 Mo6 Se12 - Comments: Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-] Journal of Materials Chemistry C 3 (2015) 11046-11054 Space group: R -3 :R Cell volume: 1261.12 Cell parameters: 11.0988; 11.0988; 11.0988; 102.058; 102.058; 102.058; |
| COD ID: 7234493 | |
| CIF file | Formula: - C18 H12 Br15 Mo6 Se12 - Comments: Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-] Journal of Materials Chemistry C 3 (2015) 11046-11054 Space group: R -3 :R Cell volume: 1286.32 Cell parameters: 11.1579; 11.1579; 11.1579; 101.8; 101.8; 101.8; |
| COD ID: 7234495 | |
| CIF file | Formula: - C18 H12 Cl15 Mo6 Se12 - Comments: Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-] Journal of Materials Chemistry C 3 (2015) 11046-11054 Space group: R -3 :R Cell volume: 1167.76 Cell parameters: 10.8505; 10.8505; 10.8505; 102.632; 102.632; 102.632; |
| COD ID: 7234496 | |
| CIF file | Formula: - C18 H12 Cl15 Mo6 Se12 - Comments: Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-] Journal of Materials Chemistry C 3 (2015) 11046-11054 Space group: R -3 :R Cell volume: 1191.82 Cell parameters: 10.908; 10.908; 10.908; 102.348; 102.348; 102.348; |
| COD ID: 7234497 | |
| CIF file | Formula: - C18 H12 Br15 Mo6 S12 - Comments: Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-] Journal of Materials Chemistry C 3 (2015) 11046-11054 Space group: R -3 :R Cell volume: 1203.35 Cell parameters: 10.8797; 10.8797; 10.8797; 101.159; 101.159; 101.159; |
| COD ID: 7234498 | |
| CIF file | Formula: - C18 H12 Br15 Mo6 S12 - Comments: Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-] Journal of Materials Chemistry C 3 (2015) 11046-11054 Space group: R -3 :R Cell volume: 1228.45 Cell parameters: 10.9429; 10.9429; 10.9429; 100.915; 100.915; 100.915; |
| COD ID: 7705397 | |
| CIF file | Formula: - C36.16 H38.32 Cl0.32 Cu N2 O4 - Comments: Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F. Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols. Dalton transactions (Cambridge, England : 2003) 49(37) (2020) 12990-13002 Space group: R -3 :R Cell volume: 4814 Cell parameters: 21.012; 21.012; 21.012; 115.759; 115.759; 115.759; |
| COD ID: 9000195 | |
| CIF file | Formula: - H36 Mg7 Na12 O67 S13 - Comments: Fang, J. H.; Robinson, P. D. Crystal structures and mineral chemistry of double-salt hydrates: II. The crystal structure of loeweite American Mineralogist 55 (1970) 378-386 Space group: R -3 :R Cell volume: 1375.67 Cell parameters: 11.769; 11.769; 11.769; 106.5; 106.5; 106.5; |
| COD ID: 9000524 | |
| CIF file | Formula: - Ce0.05 Fe6.698 La0.05 Mn0.7 O38 Pb0.1 Sr0.7 Ti13.602 - Comments: Grey, I. E.; Lloyd, D. J.; White, J. S. The structure of crichtonite and its relationship to senaite American Mineralogist 61 (1976) 1203-1212 Space group: R -3 :R Cell volume: 644.398 Cell parameters: 9.148; 9.148; 9.148; 69.078; 69.078; 69.078; |
| COD ID: 9000598 | |
| CIF file | Formula: - Al0.384 Ca0.72 Cr2.238 Fe3.43 La0.33 Mg0.92 O38 Ti12.474 U0.05 V0.21 Zr0.58 - Comments: Gatehouse, B. M.; Grey, I. E.; Campbell, I. H.; Kelly, P. R. The crystal structure of loveringite - a new member of the crichtonite group American Mineralogist 63 (1978) 28-36 Space group: R -3 :R Cell volume: 637.788 Cell parameters: 9.117; 9.117; 9.117; 69.07; 69.07; 69.07; |
| COD ID: 9000736 | |
| CIF file | Formula: - Ca0.2 Cr0.21 Fe6.152 La0.91 Mg0.24 O38 Sr0.09 Ti12.672 U0.33 Y0.3 - Comments: Gatehouse, B. M.; Grey, I. E.; Kelly, P. R. The crystal structure of davidite American Mineralogist 64 (1979) 1010-1017 Space group: R -3 :R Cell volume: 649.693 Cell parameters: 9.19; 9.19; 9.19; 68.73; 68.73; 68.73; |
| COD ID: 9001873 | |
| CIF file | Formula: - Ba0.12 Ce0.06 Fe8.06 La0.12 Mn0.12 O38 Pb0.24 Sr0.42 Ti12.66 U0.3 Y0.3 - Comments: Orlandi, P.; Pasero, M.; Duchi, G.; Olmi, F. Dessauite, (Sr,Pb)(Y,U)(Ti,Fe)20O38, a new mineral of the crichtonite group from Buca della Vena mine, Tuscany, Italy American Mineralogist 82 (1997) 807-811 Space group: R -3 :R Cell volume: 651.388 Cell parameters: 9.197; 9.197; 9.197; 68.75; 68.75; 68.75; |
| COD ID: 9001948 | |
| CIF file | Formula: - Na8 O18 Si7 - Comments: Fleet, M. E. Sodium heptasilicate: A high-pressure silicate with six-membered rings of tetrahedra interconnected by SiO6 octahedra: (Na8Si[Si6O18]) American Mineralogist 83 (1998) 618-624 Space group: R -3 :R Cell volume: 368.916 Cell parameters: 7.18; 7.18; 7.18; 87.26; 87.26; 87.26; |
| COD ID: 9004125 | |
| CIF file | Formula: - Fe2.16 K0.15 Mn Na0.7 O38 Pb0.15 Ti15.84 Zn2 - Comments: Grey, I. E.; Gatehouse, B. M. The crystal structure of landauite, Na[MnZn2(Ti,Fe)6Ti12]O38 The Canadian Mineralogist 16 (1978) 63-68 Space group: R -3 :R Cell volume: 644.342 Cell parameters: 9.152; 9.152; 9.152; 68.99; 68.99; 68.99; |
| COD ID: 9005642 | |
| CIF file | Formula: - Ce0.12 Fe8 Mn0.34 O38 Pb0.6 Sr0.3 Ti12 U0.06 Y0.48 - Comments: Orlandi, P.; Pasero, M.; Rotiroti, N.; Olmi, F.; Demartin, F.; Moelo, Y. Gramaccioliite-(Y), a new mineral of the crichtonite group from Stura Valley, Piedmont, Italy Locality: the gneiss of the Hercynian Massif of Argentera at Sambuco, Italy European Journal of Mineralogy 16 (2004) 171-175 Space group: R -3 :R Cell volume: 649.784 Cell parameters: 9.186; 9.186; 9.186; 68.82; 68.82; 68.82; |
| COD ID: 9007057 | |
| CIF file | Formula: - Cu H2 O4 Si - Comments: Belokoneva, E. L.; Gubina, Y. K.; Forsyth, J. B.; Brown, P. J. The charge-density distribution, its multipole refinement and the antiferromagnetic structure of dioptase, Cu6[Si6O18].6H2O Physics and Chemistry of Minerals 29 (2002) 430-438 Space group: R -3 :R Cell volume: 479.521 Cell parameters: 8.819; 8.819; 8.819; 111.7; 111.7; 111.7; |
| COD ID: 9007734 | |
| CIF file | Formula: - Eu Mo6 S8 - Comments: Kubel, F.; Yvon, K. Structural phase transitions in Chevrel phases containing divalent metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 at low temperature Sample: T = 112 K Acta Crystallographica, Section C 46 (1990) 181-186 Space group: R -3 :R Cell volume: 279.265 Cell parameters: 6.5378; 6.5378; 6.5378; 88.809; 88.809; 88.809; |
| COD ID: 9007736 | |
| CIF file | Formula: - Ba Mo6 S8 - Comments: Kubel, F.; Yvon, K. Structural phase transitions in Chevrel phases containing divalent metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 at low temperature Sample: T = 177 K Acta Crystallographica, Section C 46 (1990) 181-186 Space group: R -3 :R Cell volume: 293.025 Cell parameters: 6.6441; 6.6441; 6.6441; 88.562; 88.562; 88.562; |
| COD ID: 9008043 | |
| CIF file | Formula: - Bi2 S Te2 - Comments: Harker, D. The crystal structure of the mineral tetradymite, Bi2Te2S Zeitschrift fur Kristallographie 89 (1934) 175-181 Space group: R -3 :R Cell volume: 162.41 Cell parameters: 10.33; 10.33; 10.33; 24.17; 24.17; 24.17; |
| COD ID: 9008098 | |
| CIF file | Formula: - As I3 - Comments: Trotter, J. The crystal structure of arsenic triiodide, AsI3 Zeitschrift fur Kristallographie 121 (1965) 81-86 Space group: R -3 :R Cell volume: 321.561 Cell parameters: 8.269; 8.269; 8.269; 51.683; 51.683; 51.685; |
| COD ID: 9008145 | |
| CIF file | Formula: - Rh3 Se8 - Comments: Hohnke, D.; Parthe, E. The crystal structure of pyrite-related Rh3Se8 Zeitschrift fur Kristallographie 127 (1968) 164-172 Space group: R -3 :R Cell volume: 212.169 Cell parameters: 5.9648; 5.9648; 5.9648; 90.73; 90.73; 90.73; |
| COD ID: 9009770 | |
| CIF file | Formula: - Fe O - Comments: Fjellvag, H.; Gronvold, F.; Stolen, S.; Hauback, B. C. On the crystallographic and magnetic structures of nearly stoichiometric iron monoxide Note: low-temperature polymorph Sample: Three-Phase Mixture FeO, T = 12 K Journal of Solid State Chemistry 124 (1996) 52-57 Space group: R -3 :R Cell volume: 160.589 Cell parameters: 6.132; 6.132; 6.132; 59.34; 59.34; 59.34; |
| COD ID: 9009771 | |
| CIF file | Formula: - Fe0.925 O - Comments: Fjellvag, H.; Gronvold, F.; Stolen, S.; Hauback, B. C. On the crystallographic and magnetic structures of nearly stoichiometric iron monoxide Note: low-temperature polymorph Sample: Single-Phase Fe0.925O, T = 12 K Journal of Solid State Chemistry 124 (1996) 52-57 Space group: R -3 :R Cell volume: 158.091 Cell parameters: 6.073; 6.073; 6.073; 59.92; 59.92; 59.92; |
| COD ID: 9009955 | |
| CIF file | Formula: - Al2 H4 Na1.862 O13.667 Si4 - Comments: Yokomori, Y.; Idaka, S. The crystal structure of analcime Microporous and Mesoporous Materials 21 (1998) 365-370 Space group: R -3 :R Cell volume: 1298.31 Cell parameters: 11.909; 11.909; 11.909; 109.51; 109.51; 109.51; |
| COD ID: 9010496 | |
| CIF file | Formula: - Al6 Ca1.617 K1.842 O24 Si6 - Comments: Fischer, R. X.; Kahlenberg, V.; Lengauer, C. L.; Tillmanns, E. Thermal behavior and structural transformation in the chabazite-type zeolite willhendersonite, KCaAl3Si3O12*5H2O Note: T = 423K American Mineralogist 93 (2008) 1317-1325 Space group: R -3 :R Cell volume: 832.654 Cell parameters: 9.411; 9.411; 9.411; 91.48; 91.48; 91.48; |
| COD ID: 9011164 | |
| CIF file | Formula: - Fe6.34 Mn O38 Pb0.83 Ti13.66 - Comments: Grey, I. E.; Lloyd, D. J. The crystal structure of senaite Acta Crystallographica, Section B 32 (1976) 1509-1513 Space group: R -3 :R Cell volume: 648.885 Cell parameters: 9.172; 9.172; 9.172; 69.02; 69.02; 69.02; |
| COD ID: 9011341 | |
| CIF file | Formula: - Ba0.14 Ca0.3 Cr3.1 Fe2.2 K0.62 Mg1.333 Na0.14 Nb0.233 O38 Sr0.1 Ti12.9 V0.233 Zr0.7 - Comments: Gatehouse, B. M.; Grey, I. E.; Smyth, J. R. Structure refinement of mathiasite, (K0.62Na0.14Ba0.14Sr0.10) [Ti12.90Cr3.10Mg1.53Fe2.15Zr0.67Ca0.29V0.36]O38 locality: peridotite nodules, Bultfonten kimblerlite, South africa Acta Crystallographica, Section C 39 (1983) 421-422 Space group: R -3 :R Cell volume: 639.924 Cell parameters: 9.119; 9.119; 9.119; 69.24; 69.24; 69.24; |
| COD ID: 9014631 | |
| CIF file | Formula: - Ge O4 Zn2 - Comments: Hang, C.; Simonov, M. A.; Belov, N. V. Crystal structures of willemite Zn2[SiO4] and its germanium analog Zn2[GeO4] Soviet Physics Crystallography 15 (1970) 387-390 Space group: R -3 :R Cell volume: 563.199 Cell parameters: 8.836; 8.836; 8.836; 107.7; 107.7; 107.7; |
| COD ID: 9014765 | |
| CIF file | Formula: - O4 Si Zn2 - Comments: Hang, C.; Simonov, M. A.; Belov, N. V. Crystal structures of willemite Zn2[SiO4] and its germanium analog Zn2[GeO4] Soviet Physics Crystallography 15 (1970) 387-390 Space group: R -3 :R Cell volume: 521.689 Cell parameters: 8.628; 8.628; 8.628; 107.87; 107.87; 107.87; |
| COD ID: 9015045 | |
| CIF file | Formula: - H2 O - Comments: Kamb, B. Ice II: A proton-ordered form of ice Note: T = -75 C, P = 0.3 GPa Acta Crystallographica 17 (1964) 1437-1449 Space group: R -3 :R Cell volume: 304.25 Cell parameters: 7.78; 7.78; 7.78; 113.1; 113.1; 113.1; |
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