Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000179 | CIF | F3 Fe Na0.11 | R -3 c :R | 5.372; 5.372; 5.372 58.85; 58.85; 58.85 | 106.7 | de Pape, R; Tressaud, A; Portier, J Sur de nouvelles series de bronzes fluores de composition M~x~ Fe F~3~ (M = Na, Rb, Tl) Materials Research Bulletin, 1968, 3, 753-758 |
| 1001452 | CIF | Ba2 Cu3 O7 Y | P m m m | 3.8128; 3.8806; 11.6303 90; 90; 90 | 172.1 | Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction Europhysics Letters, 1987, 3, 1301-1307 |
| 1001453 | CIF | Ba2 Cu3 O7 Y | P m m m | 3.8124; 3.8807; 11.6303 90; 90; 90 | 172.1 | Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction Europhysics Letters, 1987, 3, 1301-1307 |
| 1001454 | CIF | Ba2 Cu3 O7 Y | P m m m | 3.8131; 3.8806; 11.6329 90; 90; 90 | 172.1 | Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction Europhysics Letters, 1987, 3, 1301-1307 |
| 1001455 | CIF | Ba2 Cu3 O7 Y | P m m m | 3.8141; 3.8812; 11.6395 90; 90; 90 | 172.3 | Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction Europhysics Letters, 1987, 3, 1301-1307 |
| 1001456 | CIF | Ba2 Cu3 O7 Y | P m m m | 3.8164; 3.8824; 11.6546 90; 90; 90 | 172.7 | Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction Europhysics Letters, 1987, 3, 1301-1307 |
| 1001457 | CIF | Ba2 Cu3 O7 Y | P m m m | 3.8206; 3.8851; 11.6757 90; 90; 90 | 173.3 | Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction Europhysics Letters, 1987, 3, 1301-1307 |
| 1004071 | CIF | Bi1.72 O3 Sr0.53 | R -3 m :H | 3.971; 3.971; 28.41 90; 90; 120 | 388 | Boivin, J C; Thomas, D J Structural investigations on bismuth-based oxides Solid State Ionics, 1981, 3, 457-462 |
| 1005034 | CIF | Ba6 Ni25 S27 | P m -3 m | 10.0565; 10.0565; 10.0565 90; 90; 90 | 1017 | Gelabert, M C; Ho, M H; Malik, A-S; DiSalvo, F J; Deniard, P; Brec, R Structure and properties of Ba6 Ni25 S27 Chemistry - A European Journal, 1997, 3, 1884-1889 |
| 1006040 | CIF | F4 H2 K Mn O | C 1 2/c 1 | 13.7546; 6.1406; 10.3343 90; 104.23; 90 | 846.1 | Palacio, F; Andres, M; Rodriguez-Carvajal, J; Pannetier, J Magnetic structures of the MnIII weak ferromagnets AMnF~4~.H~2~O (A=Rb and K) Journal of Physics: Condensed Matter, 1991, 3, 2379-2390 |
| 1006041 | CIF | F4 H2 Mn O Rb | C 1 2/c 1 | 13.8323; 6.4285; 10.4837 90; 103.98; 90 | 904.6 | Palacio, F; Andres, M; Rodriguez-Carvajal, J; Pannetier, J Magnetic structures of the MnIII weak ferromagnets AMnF~4~.H~2~O (A=Rb and K) Journal of Physics: Condensed Matter, 1991, 3, 2379-2390 |
| 1006042 | CIF | La2 Ni O4 | B m a b | 5.4618; 5.4967; 12.561 90; 90; 90 | 377.1 | Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~ Journal of Physics: Condensed Matter, 1991, 3, 3215-3234 |
| 1006043 | CIF | La2 Ni O4 | P 42/n c m :2 | 5.4995; 5.4995; 12.5052 90; 90; 90 | 378.2 | Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~ Journal of Physics: Condensed Matter, 1991, 3, 3215-3234 |
| 1006044 | CIF | La2 Ni O4 | B m a b | 5.4419; 5.5364; 12.4896 90; 90; 90 | 376.3 | Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~ Journal of Physics: Condensed Matter, 1991, 3, 3215-3234 |
| 1006045 | CIF | La2 Ni O4 | B m a b | 5.4499; 5.5275; 12.5118 90; 90; 90 | 376.9 | Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~ Journal of Physics: Condensed Matter, 1991, 3, 3215-3234 |
| 1006047 | CIF | La2 Ni O4.15 | I 4/m m m (a+b,-a+b,c) | 5.45514; 5.45514; 12.6461 90; 90; 90 | 376.3 | Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~ Journal of Physics: Condensed Matter, 1991, 3, 3215-3234 |
| 1006048 | CIF | La2 Ni O4.1 | I 4/m m m (a+b,-a+b,c) | 5.4897; 5.4897; 12.5708 90; 90; 90 | 378.8 | Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~ Journal of Physics: Condensed Matter, 1991, 3, 3215-3234 |
| 1006049 | CIF | Bi4 Cu5 O19.06 Sr7.86 | F m m m | 5.3671; 33.9719; 24.0722 90; 90; 90 | 4389.1 | Caldes, M T; Navarro, J M; Perez, F; Carrera, M; Fontcuberta, J; Casan-Pastor, N; Miravitlles, C; Obradors, X; Rodriguez-Carjaval, J; Gonzalez-Calbet, J M; Vallet-Regi, M; Garcia, A; Fuertes, A Electron microscopy, neutron diffraction and physical properties ofBi~4~Sr~8~Cu~5~O~19+y~ Chemistry of Materials (1,1989-, 1991, 3, 844-852 |
| 1006097 | CIF | Cu La2 O6 Ti | P n m a | 5.6262; 7.8396; 5.5702 90; 90; 90 | 245.7 | Palacin, M R; Bassas, J; Rodriguez-Carvajal, J; Gomez-Romero, P Syntheses of the perovskite La2 Cu Ti O6 by the ceramic, oxide precursors and sol-gel methods, and study of the structure and Cu-Ti distribution by X-ray and neutron diffraction Journal of Materials Chemistry, 1993, 3, 1171-1177 |
| 1008258 | CIF | Co La O4 Sr | I 4/m m m | 3.796; 3.796; 12.447 90; 90; 90 | 179.4 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 1008259 | CIF | Co La O4 Sr | I 4/m m m | 3.799; 3.799; 12.454 90; 90; 90 | 179.7 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 1008260 | CIF | Co La O4 Sr | I 4/m m m | 3.806; 3.806; 12.5 90; 90; 90 | 181.1 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 1008261 | CIF | Co La O4 Sr | I 4/m m m | 3.807; 3.807; 12.52 90; 90; 90 | 181.5 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 1008262 | CIF | Co La O4 Sr | I 4/m m m | 3.811; 3.811; 12.554 90; 90; 90 | 182.3 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 1008263 | CIF | Co La O4 Sr | I 4/m m m | 3.817; 3.817; 12.6 90; 90; 90 | 183.6 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 1008264 | CIF | Co La O4 Sr | I 4/m m m | 3.824; 3.824; 12.659 90; 90; 90 | 185.1 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 1008481 | CIF | Cu La1.85 O4 Sr0.15 | I 4/m m m | 3.7793; 3.7793; 13.2 90; 90; 90 | 188.5 | Decroux, M; Junod, A; Bezinge, A; Cattani, D; Cors, J; Jorda, L; Stettler, A; Francois, M; Yvon, K; Fischer, O; Muller, J Structure, Resistivity, Critical Field, Specific-Heat Jump at T~c~, Meissner Effect, a.c. and d.c. Susceptibility of the High-Temperature Superconductor La~2-x~ Sr~x~ Cu O~4~. Europhysics Letters, 1987, 3, 1035-1040 |
| 1010325 | CIF | P | B m a b | 3.31; 4.38; 10.5 90; 90; 90 | 152.2 | Hultgren, R; Gingrich, N S; Warren, B E The Atomic Distribution in Red and Black Phosphorus and the Crystal Structure of Black Phosphorus Journal of Chemical Physics, 1935, 3, 351-355 |
| 1010328 | CIF | Cl2 | P 42/n c m :1 | 8.56; 8.56; 6.12 90; 90; 90 | 448.4 | Keesom, Willem Hendrik; Taconis, Krijn Wijbren On the crystal structure of chlorine Physica (The Hague) (1,1934-17,1951), 1936, 3, 237-242 |
| 1010517 | CIF | Cl6 H4 K3 O2 Tl | I 4/m m m | 15.841; 15.841; 18.005 90; 90; 90 | 4518.1 | Hoard, J L; Goldstein, L The Structure of Potassium Hexachlorothalliate Dihydrate Journal of Chemical Physics, 1935, 3, 645-649 |
| 1010518 | CIF | Br6 H2.286 O1.143 Rb3 Tl | I 4/m m m | 16.95; 16.95; 19.45 90; 90; 90 | 5588 | Hoard, J L; Goldstein, L The Structure of Potassium Hexachlorothalliate Dihydrate Journal of Chemical Physics, 1935, 3, 645-649 |
| 1010604 | CIF | Ag2 O | P n -3 :1 | 4.76; 4.76; 4.76 90; 90; 90 | 107.9 | Wyckoff, R W G The Crystal Structure of Silver Oxide (Ag~2~ O) American Journal of Science, Serie 5(1,1921-1938), 1922, 3, 184-188 |
| 1010844 | CIF | As2 Cl9 Cs3 | 7.37; 7.37; 8.91 90; 90; 120 | 419.1 | Hoard, J L; Goldstein, L The structure of Caesium Enneachlordiarsenite Journal of Chemical Physics, 1935, 3, 117-122 | |
| 1010847 | CIF | H16 O12 S Sm | C 1 2/c 1 | 20.3; 6.76; 13.53 90; 118.3; 90 | 1634.8 | Zachariasen, W H Note on the Crystal Lattice of Samarium Sulphate Octo-Hydrate Journal of Chemical Physics, 1935, 3, 197-198 |
| 1010869 | CIF | Cl9 Cs3 Tl2 | R -3 c RS | 9.58; 9.58; 9.58 83.8; 83.8; 83.8 | 864.8 | Hoard, J L; Goldstein, L The Crystal Structure of Cesium Enneachlordithalliate, Cs~3~ Tl~2~ Cl~9~ Journal of Chemical Physics, 1935, 3, 199-202 |
| 1010974 | CIF | Cr N | F m -3 m | 4.144; 4.144; 4.144 90; 90; 90 | 71.2 | Blix, R Roentgenanalyse des Chrom-Stickstoffsystems nebst einer orientierten Konstitutionsuntersuchung des stickstoffhaltigen Ferrochroms Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 3, 229-239 |
| 1010978 | CIF | F K | F m -3 m | 5.3437; 5.3437; 5.3437 90; 90; 90 | 152.6 | Broch, E; Oftedal, I; Pabst, A Neubestimmung der Gitterkonstanten von KF, CsCl und BaF2 Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 3, 209-214 |
| 1011025 | CIF | Ag I | P 63 m c S | 4.59; 4.59; 7.52 90; 90; 120 | 137.2 | Helmholz, L The Crystal Structure of Hexagonal Silver Iodide Journal of Chemical Physics, 1935, 3, 740-747 |
| 1011026 | CIF | Fe H O2 | A m a m | 3.87; 12.51; 3.06 90; 90; 90 | 148.1 | Ewing, F J The Crystal Structure of Lepidocrocite Journal of Chemical Physics, 1935, 3, 420-424 |
| 1011027 | CIF | Al H O2 | P b n m | 4.4; 9.39; 2.84 90; 90; 90 | 117.3 | Ewing, F J The Crystal Structure of Diaspore Journal of Chemical Physics, 1935, 3, 203-207 |
| 1011160 | CIF | S8 | F d d d :1 | 10.48; 12.92; 24.54999 90; 90; 90 | 3324.1 | Warren, B E; Burwell, J T The structure of rhombic sulphur Journal of Chemical Physics, 1935, 3, 6-8 |
| 1100249 | CIF | C21 H29 N O3 | P 21 21 21 | 7.2624; 8.541; 30.4681 90; 90; 90 | 1889.88 | Bach, Thorsten; Bergmann, Hermann; Harms, Klaus Enantioselective Photochemical Reactions of 2-Pyridones in Solution Organic Letters, 2001, 3, 601-603 |
| 1500045 | CIF | C14 H10 Br2 N2 O7 Ru | P 1 21/c 1 | 6.5744; 19.604; 13.4362 90; 92.7382; 90 | 1729.74 | Luukkanen, Saija; Haukka, Matti; Eskelinen, Esa; Pakkanen, Tapani A.; Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkiö, Pasi; Korppi-Tommola, Jouko Photochemical reactivity of halogen-containing ruthenium‒dcbpy (dcbpy = 4,4'-dicarboxylic acid-2,2'-bipyridine) compounds, trans(Br)-[Ru(dcbpy)(CO)2Br2] and trans(I)-[Ru(dcbpy)(CO)2I2] Physical Chemistry Chemical Physics, 2001, 3, 1992 |
| 1507245 | CIF | C14 H6 N2 O4 | P -1 | 7.6345; 8.1774; 8.9355 89.56; 71.295; 80.065 | 519.78 | Keeling, D. L.; Oxtoby, N. S.; Wilson, C.; Humphry, M. J.; Champness, N. R.; Beton, P. H. Assembly and Processing of Hydrogen Bond Induced Supramolecular Nanostructures Nano Letters, 2003, 3, 9 |
| 1507500 | CIF | C7 H9 N5 | P 1 21/c 1 | 8.712; 12.524; 8.438 90; 117.2; 90 | 818.9 | Pedireddi, V. R.; Ranganathan, Anupama; Ganesh, Krishna N. Cyanurate Mimics of Hydrogen-Bonding Patterns of Nucleic Bases: Crystal Structure of a 1:1 Molecular Complex of 9-Ethyladenine andN-Methylcyanuric Acid Organic Letters, 2001, 3, 99 |
| 1507501 | CIF | C20 H20 Cl N O2 S | P -1 | 6.15; 10.433; 14.725 74.73; 87.33; 86.8 | 909.5 | Greig, Ian R.; Tozer, Matthew J.; Wright, Paul T. Synthesis of Cyclic Sulfonamides through Intramolecular Diels−Alder Reactions Organic Letters, 2001, 3, 369 |
| 1507502 | CIF | C21 H22 Cl N O2 S | P 1 21 1 | 12.398; 9.766; 16.128 90; 95.65; 90 | 1943.3 | Greig, Ian R.; Tozer, Matthew J.; Wright, Paul T. Synthesis of Cyclic Sulfonamides through Intramolecular Diels−Alder Reactions Organic Letters, 2001, 3, 369 |
| 1507503 | CIF | C15 H13 N O2 | P 1 21/c 1 | 13.0629; 5.3745; 17.45 90; 99.449; 90 | 1208.5 | Mandel, Sarah M.; Krause Bauer, Jeanette A.; Gudmundsdottir, Anna D. Photolysis of α-Azidoacetophenones: Trapping of Triplet Alkyl Nitrenes in Solution Organic Letters, 2001, 3, 523 |
| 1507504 | CIF | C70 H81 Cl3 N6 O9 | P -1 | 15.8166; 15.9376; 16.5142 68.705; 66.989; 67.819 | 3432.7 | Ballester, Pablo; Capó, Magdalena; Costa, Antoni; Deyà, Pere M.; Gomila, Rosa; Decken, Andreas; Deslongchamps, Ghislain Selective Binding ofcis-1,3,5-Cyclohexane Tricarboxylic Acid vs Its EpimerictransIsomer by a Tripodal Amidopyridine Receptor; Crystal Structures of the 1:1 Complexes Organic Letters, 2001, 3, 267 |
| 1507505 | CIF | C71 H84 N6 O9 | C 1 2/c 1 | 17.264; 29.223; 28.645 90; 95.776; 90 | 14378 | Ballester, Pablo; Capó, Magdalena; Costa, Antoni; Deyà, Pere M.; Gomila, Rosa; Decken, Andreas; Deslongchamps, Ghislain Selective Binding ofcis-1,3,5-Cyclohexane Tricarboxylic Acid vs Its EpimerictransIsomer by a Tripodal Amidopyridine Receptor; Crystal Structures of the 1:1 Complexes Organic Letters, 2001, 3, 267 |
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