Crystallography Open Database

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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

Original IUCr paper

 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

Original IUCr paper

 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: 2005021
CIF file

Original IUCr paper

 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

Original IUCr paper

 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

HKL data

Original IUCr paper

 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

Original IUCr paper

 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

Original IUCr paper

 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

Original IUCr paper

 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

HKL data

Original IUCr paper

 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

HKL data

Original IUCr paper

 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

HKL data

Original IUCr paper

 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

Original IUCr paper

 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 saltsElectronic supplementary information (ESI) available: hydrogen bond network indicated by dashed lines in 2 (Fig. S1), coordination environment of Cd2B (minor component) (Fig. S2), FT-IR spectra of anion exchange (Fig. S3) and excitation and emission spectra of 2 (Fig. S4). See http://www.rsc.org/suppdata/dt/b2/b202138b/ Journal of the Chemical Society, Dalton Transactions (issue 20) (2002) 3868
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)Pd(8-mq)] (dppm = Ph2PCH2PPh2), [(OC)3Fe{μ-Si(OMe)2(OMe)}(μ-dppa)PdCl] and [(OC)3Fe{μ-Si(OMe)2(OMe)}(μ-dppa)PdPh] (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 diodesElectronic supplementary information available: details of photoluminescence measurements, transient absorption spectra of PtF20TPP, photophysical properties of PtF20TPP in different solvents, EL spectra and performances of OLEDs using PtF20TPP as emitters at various doping levels and crystallographic data for PtF20TPP. See http://www.rsc.org/suppdata/jm/b2/b212204a/ Journal of Materials Chemistry 13(6) (2003) 1362
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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