Crystallography Open Database
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COD ID ![]() |
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Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
|---|---|---|---|---|---|---|
| 1000459 | CIF | C H22 Al2 Ca4 O20 | P 1 | 5.7747; 8.4689; 9.923 64.77; 82.75; 81.43 | 433 | Francois, M; Renaudin, G; Evrard, O A cementitious compound with composition 3CaO . Al2O3 . CaCO3 . 11H2O Acta Crystallographica C (39,1983-), 1998, 54, 1214-1217 |
| 1000460 | CIF | Cr0.5 Cu0.5 P S3 | C 1 2/c 1 | 5.916; 10.246; 13.415 90; 107.09; 90 | 777.2 | Colombet, P; Leblanc, A; Danot, M; Rouxel, J Structural aspects and magnetic properties of the lamellar compound Cu0.5 Cr0.5 P S3 Journal of Solid State Chemistry, 1982, 41, 174-184 |
| 1000461 | CIF | Cr5 Cs4 F18.24 | P -3 m 1 | 7.2; 7.2; 10.679 90; 90; 120 | 479.4 | Courbion, G; de Pape, R; Knoke, G; Babel, D Structures of cesium containing fluorides, VI:The pyrochlore-related layer structures of Cs4 Co Cr4 F18 and Cs4 Cr5 F18+x Journal of Solid State Chemistry, 1983, 49, 353-361 |
| 1000462 | CIF | Co Cr4 Cs4 F18.24 | P -3 m 1 | 7.203; 7.203; 10.761 90; 90; 120 | 483.5 | Courbion, G; de Pape, R; Knoke, G; Babel, D Structures of cesium containing fluorides, VI:The pyrochlore-related layer structures of Cs4 Co Cr4 F18 and Cs4 Cr5 F18+x Journal of Solid State Chemistry, 1983, 49, 353-361 |
| 1000463 | CIF | C La2 O5 | P 63/m m c | 4.0755; 4.0755; 15.957 90; 90; 120 | 229.5 | Attfield, J. P.; Ferey, G. Structure determination of La2 O2 C O3-II and the unusual disordered phase La2 O2.52 (C O3)0.74 Li0.52 using powder diffraction Journal of Solid State Chemistry, 1989, 82, 132-138 |
| 1000464 | CIF | C0.85 La2 O4.85 | P 63/m m c | 4.0852; 4.0852; 16.2211 90; 90; 120 | 234.4 | Attfield, J. P.; Ferey, G. Structure determination of La2 O2 C O3-II and the unusual disordered phase La2 O2.52 (C O3)0.74 Li0.52 using powder diffraction Journal of Solid State Chemistry, 1989, 82, 132-138 |
| 1000465 | CIF | C0.74 La2 Li0.52 O4.74 | P 63/m m c | 4.058; 4.058; 16.22189 90; 90; 120 | 231.3 | Attfield, J. P.; Ferey, G. Structure determination of La2 O2 C O3-II and the unusual disordered phase La2 O2.52 (C O3)0.74 Li0.52 using powder diffraction Journal of Solid State Chemistry, 1989, 82, 132-138 |
| 1000466 | CIF | F6 Fe H12 O6 Sn | R -3 :H | 9.826; 9.826; 10.106 90; 90; 120 | 845 | Benghalem, A; Leblanc, M; Calage, Y Room-temperature structure of iron(II) hexafluorostannate(IV) hexahydrate Acta Crystallographica C (39,1983-), 1990, 46, 2453-2454 |
| 1000467 | CIF | Al F3 | R -3 c :H | 4.9305; 4.9305; 12.4462 90; 90; 120 | 262 | Daniel, Ph; Bulou, A; Rousseau, M; Nouet, J; Fourquet, J L; Leblanc, M; Burriel, R A study of the structural phase transitions in Al F3: X-ray powder diffraction, DSC and Raman scattering investigations of the lattice dynamics and phonon spectrum Journal of Physics: Condensed Matter, 1990, 2, 5663-5677 |
| 1000468 | CIF | F3 V | R -3 c :H | 5.168; 5.168; 13.438 90; 90; 120 | 310.8 | Daniel, P; Bulou, A; Leblanc, M; Rousseau, M; Nouet, J Structural and vibrational study of V F3 Materials Research Bulletin, 1990, 25, 413-420 |
| 1000469 | CIF | Cs8 Nb10 O41 Si6 | P 63/m m c | 7.342; 7.342; 22.16599 90; 90; 120 | 1034.8 | Crosnier, M P; Pagnoux, C; Guyomard, D; Verbaere, A; Piffard, Y; Tournoux, M The crystal structure of a novel cyclotrisilicate: Cs8 Nb10 O23 (Si3 O9)2. Its relationship with the pyrochlore and benitoite types European Journal of Solid State Inorganic Chemistry, 1991, 28, 971-981 |
| 1000470 | CIF | C Ba F O6 Sm | R -3 m :H | 5.016; 5.016; 37.94398 90; 90; 120 | 826.8 | Mercier, N; Leblanc, M Crystal growth and structures of rare earth fluorocarbonates: I. Structures of Ba Sm (C O3)2 F and Ba3 La2 (C O3)5 F2: revision of the corresponding huanghoite and cebaite type structures European Journal of Solid State Inorganic Chemistry, 1993, 30, 195-205 |
| 1000471 | CIF | C5 Ba3 F2 La2 O15 | C 1 2/m 1 | 21.47198; 5.098; 13.325 90; 94.96; 90 | 1453.1 | Mercier, N; Leblanc, M Crystal growth and structures of rare earth fluorocarbonates: I. Structures of Ba Sm (C O3)2 F and Ba3 La2 (C O3)5 F2: revision of the corresponding huanghoite and cebaite type structures European Journal of Solid State Inorganic Chemistry, 1993, 30, 195-205 |
| 1000472 | CIF | H2 Na5 O15 P3 V2 | C 1 m 1 | 6.3089; 20.10379; 5.1172 90; 91.134; 90 | 648.9 | Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Leblanc, M; Raveau, B Na5 V2 P3 O14 . H2 O, a tetravalent vanadium phosphate with alayer structure and a pure pyramidal coordination of V(IV) Journal of Solid State Chemistry, 1992, 96, 390-396 |
| 1000473 | CIF | Ba F8 Y2 | C 1 2/m 1 | 6.9829; 10.519; 4.2644 90; 99.676; 90 | 308.8 | Guilbert, L H; Gesland, J Y; Bulou, A; Retoux, R Structure and Raman spectroscopy of Czochralski-grown barium yttrium and barium ytterbium fluorides crystals Materials Research Bulletin, 1993, 28, 923-930 |
| 1000474 | CIF | C3 F4 Gd2 K4 O9 | R 3 2 :H | 9.0268; 9.0268; 13.684 90; 90; 120 | 965.6 | Mercier, N; Leblanc, M; Durand, J New frequency doubling compounds: K4 Ln2 (C O3)3 F4 (Ln = Pr, Nd, Sm, Gd, Eu); crystal structure and characterization European Journal of Solid State Inorganic Chemistry, 1997, 34, 241-249 |
| 1000475 | CIF | F3 Ga H0.07 O0.07 | C m c m | 7.21; 12.398; 7.333 90; 90; 90 | 655.5 | LeBail, A; Jacoboni, C; LeBlanc, M; de Pape, R; Duroy, H; Fourquet, J L Crystal structure of the metastable form of aluminium trifluoride $- beta-Al F3 and the gallium and indium homologs Journal of Solid State Chemistry, 1988, 77, 96-101 |
| 1000476 | CIF | F3 Fe | R -3 c :R | 5.362; 5.362; 5.362 57.94; 57.94; 57.94 | 103.9 | Leblanc, M; Pannetier, J; Ferey, G; de Pape, R Single crystal refinement of the structure of rhombohedral Fe F3 Revue de Chimie Minerale, 1985, 22, 107-114 |
| 1000477 | CIF | C3 Ba2 Ce F O9 | P 1 21/m 1 | 13.365; 5.097; 6.638 90; 106.45; 90 | 433.7 | Mercier, N; Leblanc, M Crystal growth and structures of rare earth fluorocarbonates: II. Structures of zhonghuacerite Ba2 Ce (C O3)3 F. Correlations between huanghoite, cebaite and zhonghuacerite type structures European Journal of Solid State Inorganic Chemistry, 1993, 30, 207-216 |
| 1000478 | CIF | Al F5 H2 K2 O | P 1 21/m 1 | 6.133; 7.475; 6.142 90; 97.17; 90 | 279.4 | de Kozak, A; Gredin, P; Pierrard, A; Renaudin, J The crystal structure of a new form of the dipotassium pentafluoroaluminate hydrate, K2 Al F5 . (H2 O), and of its dehydrate, K2 Al F5 Journal of Fluorine Chemistry, 1996, 77, 39-44 |
| 1000479 | CIF | Al F5 K2 | P 4/m m m | 5.965; 5.965; 3.699 90; 90; 90 | 131.6 | de Kozak, A; Gredin, P; Pierrard, A; Renaudin, J The crystal structure of a new form of the dipotassium pentafluoroaluminate hydrate, K2 Al F5 . (H2 O), and of its dehydrate, K2 Al F5 Journal of Fluorine Chemistry, 1996, 77, 39-44 |
| 1000480 | CIF | H8 N2 O8 P0.96 V2.04 | P 4 | 8.629; 8.629; 5.648 90; 90; 90 | 420.5 | Ninclaus, C; Retoux, R; Riou, D; Ferey, G Synthesis and structure determination of the disordered V(V)-P compound (N H4)2 V(IV) O (V(V)2-x Px O7) Journal of Solid State Chemistry, 1996, 122, 139-142 |
| 1000481 | CIF | Ba F5 Fe H2 O | P b c n | 10.314; 7.317; 13.463 90; 90; 90 | 1016 | Fourquet, J L; Duroy, H Crystal Structures of Ba Fe F5 * H2 O European Journal of Solid State Inorganic Chemistry, 1989, 26, 413-418 |
| 1000482 | CIF | La2 O5 Pd2 | P 42/m | 6.703; 6.703; 5.63 90; 90; 90 | 253 | Attfield, J P; Ferey, G Structural correlations within the lanthanum palladium oxide family Journal of Solid State Chemistry, 1989, 80, 286-298 |
| 1000483 | CIF | La2 O4 Pd | I 4/m m m | 4.055; 4.055; 12.62 90; 90; 90 | 207.5 | Attfield, J P; Ferey, G Structural correlations within the lanthanum palladium oxide family Journal of Solid State Chemistry, 1989, 80, 286-298 |
| 1000484 | CIF | La4 O7 Pd | C 1 2/m 1 | 13.469; 4.0262; 9.448 90; 133.42; 90 | 372.1 | Attfield, J P; Ferey, G Structural correlations within the lanthanum palladium oxide family Journal of Solid State Chemistry, 1989, 80, 286-298 |
| 1000485 | CIF | Ba Cu F7 In | I 41/a m d :2 | 6.843; 6.843; 12.001 90; 90; 90 | 562 | de Kozak, A; Samouel, M; Renaudin, J; Ferey, G Structure of Ba Cu In F7: The interpretation beween a pyrochlor-like edge-sharing network of octahedra and a defect fluorite structure Zeitschrift fuer Kristallographie (149,1979-), 1989, 189, 77-87 |
| 1000486 | CIF | F2 Ga H O8 P2 Sr2 | P 1 21/n 1 | 8.257; 7.205; 13.596 90; 108.02; 90 | 769.2 | Le Meins, J.-M.; Hemon-Ribaud, A.; Courbion, G. Synthesis and crystal structure of two fluorophosphated compounds with different infinite sheets: Sr~2~Ga(HPO~4~)(PO~4~)F~2~ and Sr~2~Fe~2~(HPO~4~)(PO~4~)~2~F~2~ European Journal of Solid State and Inorganic Chemistry, 1998, 35, 117-132 |
| 1000487 | CIF | F2 Fe2 H O12 P3 Sr2 | P -1 | 8.072; 8.794; 8.885 102.46; 115.95; 89.95 | 550.6 | Le Meins, J.-M.; Hemon-Ribaud, A.; Courbion, G. Synthesis and crystal structure of two fluorophosphated compounds with different infinite sheets: Sr~2~Ga(HPO~4~)(PO~4~)F~2~ and Sr~2~Fe~2~(HPO~4~)(PO~4~)~2~F~2~ European Journal of Solid State and Inorganic Chemistry, 1998, 35, 117-132 |
| 1000488 | CIF | Al2 F2 O8 P2 Sr | P 21 21 21 | 12.026; 12.199; 4.666 90; 90; 90 | 684.5 | Le Meins, J.-M.; Courbion, G. Hydrothermal synthesis and crystal structure of SrAl~2~(PO~4~)~2~F~2~: a new three-dimensional framework with channels delimited by a helical anionic border European Journal of Solid State and Inorganic Chemistry, 1998, 35, 639-653 |
| 1000489 | CIF | H6 Li6 O21 P6 | R -3 m :H | 15.7442; 15.7442; 12.5486 90; 90; 120 | 2693.8 | Toumi, M.; Hlel, F.; Ben Chaabane, T.; Smiri, L.; Laligant, Y.; Emery, J. X-ray powder structure determination of Li~6~P~6~O~18~ · 3H~2~O European Journal of Solid State and Inorganic Chemistry, 1998, 35, 689-697 |
| 1000490 | CIF | Co Cs F4 | I -4 c 2 | 12.4476; 12.4476; 12.9277 90; 90; 90 | 2003.1 | Lacorre, P; Pannetier, J; Fleischer, T; Hoppe, R; Ferey, G Ordered magnetic frustration: XVI.Magnetic structure of Cs Co F4 at 1.5 K Journal of Solid State Chemistry, 1991, 93, 37-45 |
| 1000491 | CIF | Co Cs F4 | I -4 c 2 | 12.4353; 12.4353; 12.8612 90; 90; 90 | 1988.8 | Lacorre, P; Pannetier, J; Fleischer, T; Hoppe, R; Ferey, G Ordered magnetic frustration: XVI.Magnetic structure of Cs Co F4 at 1.5 K Journal of Solid State Chemistry, 1991, 93, 37-45 |
| 1000492 | CIF | Al3 Cs2 F12 Na | R -3 m :R | 7.31; 7.31; 7.31 57.45; 57.45; 57.45 | 260 | Courbion, G; Jacoboni, C; de Pape, R Structure cristalline de Cs2 Na Al3 F12 Acta Crystallographica B (24,1968-38,1982), 1976, 32, 3190-3193 |
| 1000493 | CIF | F Nb2 O5 Rb | F d -3 m :2 | 10.492; 10.492; 10.492 90; 90; 90 | 1155 | Fourquet, J L; Jacoboni, C; de Pape, R Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation A de nouvelles positions cristallographiques dans le groupe d'espace FD3M Materials Research Bulletin, 1973, 8, 393-404 |
| 1000494 | CIF | F Nb2 O5 Tl | F d -3 m :2 | 10.506; 10.506; 10.506 90; 90; 90 | 1159.6 | Fourquet, J L; Jacoboni, C; de Pape, R Les Pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation A de nouvelles positions cristallographiques dans les groupe d'espace FD3M Materials Research Bulletin, 1973, 8, 393-404 |
| 1000495 | CIF | Cs F Nb2 O5 | F d -3 m :2 | 10.525; 10.525; 10.525 90; 90; 90 | 1165.9 | Fourquet, J L; Jacoboni, C; de Pape, R Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation A de nouvelles positions cristallographiques dans le groupe d'espace FD3M Materials Research Bulletin, 1973, 8, 393-404 |
| 1000496 | CIF | Al F4 Rb | P 4/m b m | 5.125; 5.125; 6.283 90; 90; 90 | 165 | Fourquet, J L; Plet, F; Courbion, G; Bulou, A; de Pape, R Etude de la filiation structurale des phases M(I) Al F4 (M(I) = K, Rb, Tl, N H4, Cs) Revue de Chimie Minerale, 1979, 16, 490-500 |
| 1000497 | CIF | Ba2 F18 Zn7 | P -1 | 7.032; 7.292; 7.505 94.24; 92.82; 116.39 | 342.3 | Renaudin, J; Ferey, G; de Kozak, A; Samouel, M Structure cristalline de Ba2 Zn7 F18 Revue de Chimie Minerale, 1986, 23, 497-507 |
| 1000498 | CIF | Ba F7 Fe Mn | P 1 21/c 1 | 5.5075; 10.9584; 9.1427 90; 94.568; 90 | 550 | Lacorre, P; Pannetier, J; Pebler, J; Nagel, J; Babel, D; de Kozak, A; Samouel, M; Ferey, G Ordered magnetic frustration: XVII. Is Ba Mn Fe F7 frustrated? Mossbauer spectrocopy, magnetic susceptibility, and magnetic structure at 2 K Journal of Solid State Chemistry, 1992, 101, 296-308 |
| 1000499 | CIF | Co Cr F6 Rb | F d -3 m :2 | 10.277; 10.277; 10.277 90; 90; 90 | 1085.4 | Fourquet, J L; Jacoboni, C; de Pape, R Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation A de nouvelles positions cristallographiques dans le groupe d'espace FD3M Materials Research Bulletin, 1973, 8, 393-404 |
| 1000500 | CIF | La7 Mo7 O30 | R -3 :H | 17.0051; 17.0051; 6.8607 90; 90; 120 | 1718.1 | Goutenoire, F; Retoux, R; Suard, E; Lacorre, P Ab initio determination of the novel perovskite-related structure of La7 Mo7 O30 from powder diffraction Journal of Solid State Chemistry, 1999, 142, 228-235 |
| 1000501 | CIF | La7 Mo7 O30 | R -3 :H | 17.00639; 17.00639; 6.8613 90; 90; 120 | 1718.5 | Goutenoire, F; Retoux, R; Suard, E; Lacorre, P Ab initio determination of the novel perovskite-related structure of La7 Mo7 O30 from powder diffraction Journal of Solid State Chemistry, 1999, 142, 228-235 |
| 1000502 | CIF | B2 Gd2 Na2 O7 | P 1 21/c 1 | 10.695; 6.32; 10.328 90; 117.8; 90 | 617.5 | Corbel, G; Leblanc, M; Antic-Fidancev, E; Lemaitre-Blaise, M Crystal structure of sodium rare earth oxyborates Na2 Ln2 (B O3)2 O(Ln = Sm, Eu, and Gd) and optical analysis of Na2 Gd2 (B O3)2 O:Eu(3+) Journal of Solid State Chemistry, 1999, 144, 35-44 |
| 1000503 | CIF | La2.25 Li2 Nb1.25 O13 Ti2.75 | I 4/m m m | 3.88; 3.88; 32.39999 90; 90; 90 | 487.8 | Crosnier-Lopez, M P; Bhuvanesh, N S P; Duroy, H; Fourquet, J L Irreversible electron-induced structural change during HREM imaging in lithium Ruddlesden-Popper phases in the series Li2 La(x) (Nb(2n-3x) Ti(3x-n) O(3n-1)) (n = 2,3,4) and Li2 Sr1.5 (Nb(3-x) Fe(x)) O(10-x) Journal of Solid State Chemistry, 1999, 145, 136-149 |
| 1000504 | CIF | F2 Gd2 Mg Na2 O12 Si4 | P 1 21/c 1 | 5.178; 7.51; 14.381 90; 90.22; 90 | 559.2 | Maisonneuve, V; Leblanc, M The crystal structure of Na2 Mg Gd2 (Si4 O12) F2 and its relationship with leucophanite Canadian Mineralogist, 1998, 36, 1039-1043 |
| 1000505 | CIF | Ga H4 O6 P | P b c a | 9.926; 8.6189; 9.7622 90; 90; 90 | 835.2 | Loiseau, T; Paulet, C; Ferey, G Crystal structure determination of the hydrated gallium phosphate Ga P O4 . 2(H2 O), analog of variscite C. R. Acad. Sci. Paris, T. 1, Serie II, 1998, 1, 667-674 |
| 1000506 | CIF | C12 H48 Al7 F29 N8 O2 | P -1 | 8.438; 10.125; 10.853 106.56; 96.48; 94.03 | 877.962 | E.Goreshnik; M.Leblanc; V.Maisonneuve Z.Anorg.Allg.Chem., 2002, 628, 162 |
| 1000507 | CIF | C12 H47 Al7 F30 N8 O | P -1 | 9.1111; 10.2652; 11.3302 110.746; 102.016; 103.035 | 915.903 | E.Goreshnik; M.Leblanc; V.Maisonneuve Z.Anorg.Allg.Chem., 2002, 628, 162 |
| 1000508 | CIF | C16 H26 O5 | P c c n | 13.7805; 29.081; 8.4303 90; 90; 90 | 3378.45 | Martel, A.; Leconte, S.; Dujardin, G.; Brown, E.; Maisonneuve, V.; Retoux, R. Lewis Acid Catalysed [4+2] Heterocycloadditions between Ketone Enol Ethers and β-Ethylenic α-Oxo Esters European Journal of Organic Chemistry, 2002, 2002, 514-525 |
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