Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1000051 | CIF | K N O3 | R 3 m :H | 5.487; 5.487; 9.156 90; 90; 120 | 238.7 | Nimmo, J. K.; Lucas, B. W. The crystal structures of γ- and β-KNO~3~ and the α ←γ ←β phase transformations Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1968-1971 |
1000122 | CIF | Ba F5 Fe | P 1 21/n 1 | 9.532; 7.901; 11.398 90; 93.45; 90 | 856.9 | Le Bail, A.; Mercier, A. M. Helical octahedral cis chains in α'-BaFeF~5~ European Journal of Solid State and Inorganic Chemistry, 1995, 32, 15-24 |
1000123 | CIF | Fe4 Mo3.02 O20 V1.98 | P 41 2 2 | 9.539; 9.539; 17.1411 90; 90; 90 | 1559.7 | Laligant, Y; Permer, L; Le Bail, A Crystal structure of Fe4 V2 Mo3 O20 determined from conventional X-ray powder diffraction data European Journal of Solid State Inorganic Chemistry, 1995, 32, 325-334 |
1000124 | CIF | Fe Mo O7 V | P -1 | 5.5703; 6.6741; 7.9032 96.174; 90.26; 101.273 | 286.4 | Le Bail, A; Permer, L; Laligant, Y Structure of Fe V Mo O7 European Journal of Solid State Inorganic Chemistry, 1995, 32, 883-892 |
1000394 | CIF | C Ba Cu F2 O3 | P b c m | 4.8866; 8.531; 9.582 90; 90; 90 | 399.5 | Leblanc, M; Mercier, N; Attfield, J - P Revision of the structure of Ba Cu (C O3) F2 by neutron diffraction European Journal of Solid State Inorganic Chemistry, 1995, 32, 535-538 |
1000397 | CIF | Ba5 Cl Cu4 F17 | P -6 2 m | 10.731; 10.731; 12.803 90; 90; 120 | 1276.8 | Fompeyrine, J; Nazabal, V; Darriet, J; Courbion, G Ba5 Cu4 F17 Cl: a new copper chlorofluoride with chains structure. Structural and magnetic properties European Journal of Solid State Inorganic Chemistry, 1995, 32, 977-995 |
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 |
1001000 | CIF | Ca H4 N2 O8 | C c c a :2 | 11.827; 16.538; 12.622 90; 90; 90 | 2468.8 | Leclaire, A.; Mitschler, A.; Monier, J.-C. Structure cristalline de l'hydrate Ca(NO~3~)~2~.2H~2~ O α Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1976, 32, 1496-1499 |
1001001 | CIF | Ge4 O9 Rb2 | P -3 c 1 | 12.08; 12.08; 9.86 90; 90; 120 | 1246.1 | Goreaud, M; Raveau, B Structure cristalline de Rb~2~ Ge~4~ O~9~ et Rb~2~ Ti Ge~3~ O~9~ de type tetragermanate et etude structurale comparee de germanates en anneaux Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1536-1540 |
1001002 | CIF | Ge3 O9 Rb2 Ti | P -3 c 1 | 12.19; 12.19; 10.14 90; 90; 120 | 1304.9 | Goreaud, M; Raveau, B Structure cristalline de Rb~2~ Ge~4~ O~9~ et Rb~2~ Ti Ge~3~ O~9~ de type tetragermanate et etude structurale comparee de germanates en anneaux Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1536-1540 |
1001003 | CIF | Ca H2.47 N2 O7.235 | P 63/m | 13.226; 13.226; 32.37 90; 90; 120 | 4903.8 | Leclaire, A Structure cristalline d un nouvel hydrate du nitrate de calcium Ca (N O~3~)~2~ (H~2~ O)~1.235~ Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1950-1953 |
1001004 | CIF | B2 Nb O6 Rb | P n 1 1 | 19.64; 9.449; 7.389 90; 90; 90 | 1371.2 | Baucher, A; Gasperin, M; Cervelle, B Rb Nb B~2~ O~6~: structure de la maille multiple et proprietes optiques Acta Crystallographica B (24,1968-38,1982), 1976, 32, 2211-2215 |
1001090 | CIF | Bi Fe O3 | R 3 c :H | 5.5876; 5.5876; 13.867 90; 90; 120 | 374.9 | Moreau, J M; Michel, C; Gerson, R; James, W J Ferroelectric Bi Fe O~3~ X-Ray and neutron diffraction study Journal of Physics and Chemistry of Solids, 1971, 32, 1315-1320 |
1001129 | CIF | K0.8 Mg0.4 O4 Ti1.6 | C m c 21 | 3.8207; 15.641; 2.9814 90; 90; 90 | 178.2 | Groult, D; Mercey, C; Raveau, B Nouveaux oxydes a structure en feuillets: Les titanates de potassium non-stoechiometriques K~X~ (M~Y~ Ti~2-Y~) O~4~ Journal of Solid State Chemistry, 1980, 32, 289-296 |
1001130 | CIF | K0.8 O4 Ti1.6 Zn0.4 | C m c 21 | 3.8064; 15.692; 2.985 90; 90; 90 | 178.3 | Groult, D; Mercey, C; Raveau, B Nouveaux oxydes a structure en feuillets: Les titanates de potassium non-stoechiometriques K~X~ (M~Y~ Ti~2-Y~) O~4~ Journal of Solid State Chemistry, 1980, 32, 289-296 |
1001131 | CIF | Cs Nb O7 Ti2 | P n a m | 9.326; 18.412; 3.798 90; 90; 90 | 652.2 | Hervieu, M; Raveau, B A Layer Structure: The Titanoniobate Cs Ti~2~ Nb O~7~ Journal of Solid State Chemistry, 1980, 32, 161-165 |
1001718 | CIF | Ba Mn O3 | R -3 m :H | 5.663; 5.663; 20.95499 90; 90; 120 | 582 | Boullay, P; Hervieu, M; Labbe, P; Raveau, B Single crystal and HREM study of the "Bi-Sr" stabilized Ba Mn O3 9R polytype Materials Research Bulletin, 1997, 32, 35-42 |
1004019 | CIF | H8 Mo N2 S4 | P n m a | 9.57; 6.99; 12.2 90; 90; 90 | 816.1 | Belougne, P; Chezeau, N; Lapasset, J Nouvel affinement de la structure cristalline du thiomolybdate d'ammonium Acta Crystallographica B (24,1968-38,1982), 1976, 32, 3087-3088 |
1004035 | CIF | Ba H2 O5 Ru | R -3 c :H | 10.023; 10.023; 25.471 90; 90; 120 | 2216 | Nowogrocki, G.; Abraham, F.; Trehoux, J.; Thomas, D. Configuration de l'ion ruthenate: structure cristalline du dihydroxotrioxoruthenate(VI) de baryum, Ba (Ru O~3~ (O H)~2~) Acta Crystallographica B (24,1968-38,1982), 1976, 32, 2413-2419 |
1004049 | CIF | La3.5 O13 Ru4 | P m m m | 11.994; 5.609; 3.856 90; 90; 90 | 259.4 | Abraham, F; Trehoux, J; Thomas, D La~3.5~ Ru~4~ O~13~: Un Nouveau Compose a Feuillets de Type Perovskite Journal of Solid State Chemistry, 1980, 32, 151-160 |
1004107 | CIF | O11 U2 V2 | P 1 21/c 1 | 5.6492; 13.1841; 7.2844 90; 119.745; 90 | 471.1 | Tancret, N; Obbade, S; Abraham, F Ab initio structure determination of uranyl divanadate (U O2)2 V2 O7 from powder X-ray diffraction data European Journal of Solid State Inorganic Chemistry, 1995, 32, 195-207 |
1004108 | CIF | Bi Ni O5 P | P 1 21/n 1 | 7.1664; 11.206; 5.1732 90; 107.28; 90 | 396.7 | Abraham, F; Ketatni, M Crystal structure of a new bismuth nickel oxophosphate: Bi Ni O P O4 European Journal of Solid State Inorganic Chemistry, 1995, 32, 429-437 |
1007000 | CIF | H14 O25 P6 Sr3 | P n m a | 16.05; 12.33; 10.87 90; 90; 90 | 2151.1 | Tordjman, I; Durif, A; Guitel, J C Structure cristalline du trimetaphosphate de strontium heptahydrate Sr~3~ (P~3~ O~9~)~2~ (H~2~ O) Acta Crystallographica B (24,1968-38,1982), 1976, 32, 205-208 |
1007001 | CIF | Mo O7 Te2 | P 1 21/c 1 | 4.286; 8.618; 15.945 90; 95.68; 90 | 586.1 | Arnaud, Y; Averbuch-Pouchot, M T; Durif, A; Guidot, J Structure cristalline de l'ox de mixte de molybdene-tellure: Mo Te~2~ O~7~ Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1417-1420 |
1007002 | CIF | K3 O9 P3 | P 1 21/n 1 | 11.074; 11.965; 7.35 90; 102.18; 90 | 952 | Bagieu-Beucher, M; Tordjman, I; Durif, A; Guitel, J C Structure cristalline du trimetaphosphate de potassium K~3~ P~3~ O~9~ Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1427-1430 |
1007003 | CIF | Cd3 H28 O32 P6 | P -3 | 12.285; 12.285; 5.494 90; 90; 120 | 718.1 | Averbuch-Pouchot, M T; Durif, A; Guitel, J C Etude a basse temperature du trimetaphosphate de cadmium tetradeca- hydrate Cd~3~ (P~3~ O~9~)~2~ (H~2~ O)~14~ Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1533-1535 |
1007004 | CIF | Cd3 H28 O32 P6 | P -3 | 12.197; 12.197; 5.47 90; 90; 120 | 704.7 | Averbuch-Pouchot, M T; Durif, A; Guitel, J C Etude a basse temperature du trimetaphosphate de cadmium tetradeca- hydrate Cd~3~ (P~3~ O~9~)~2~ (H~2~ O)~14~ Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1533-1535 |
1007005 | CIF | H4 Li2 N O9 P3 | P b c a | 12.199; 13.047; 10.537 90; 90; 90 | 1677.1 | Averbuch-Pouchot, M T; Durif, A; Guitel, J C Structure cristalline du polyphosphate de lithium-ammonium, Li~2~ N H~4~ (P O~3~)~3~ Acta Crystallographica B (24,1968-38,1982), 1976, 32, 2440-2443 |
1007006 | CIF | Ba3 H12 O24 P6 | P -1 | 7.547; 11.975; 13.068 108.58; 100.35; 95.54 | 1086.2 | Masse, R; Guitel, J C; Durif, A Trimetaphosphate de baryum hexahydrate Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1892-1894 |
1007007 | CIF | Cd3 H20 O28 P6 | P 1 21/n 1 | 9.424; 17.87; 7.762 90; 107.72; 90 | 1245.2 | Averbuch-Pouchot, M T; Durif, A; Guitel, J C Trimetaphosphate de cadmium decahydrate Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1894-1896 |
1007008 | CIF | H8 N2 O13 P4 Si | P -1 | 15.14; 7.684; 4.861 97.86; 96.74; 83.89 | 554 | Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C. Structure cristalline de (NH~4~)~2~SiP~4~O~13~: un nouvel exemple de silicium hexacoordiné Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1976, 32, 2957-2960 |
1007250 | CIF | H6 O21 P6 Pb3 | P 41 21 2 | 11.957; 11.957; 12.27 90; 90; 90 | 1754.2 | Brunel-Lauegt, M; Tordjman, I; Durif, A Structure cristalline du trimetaphosphate de plomb trihydrate, Pb3 (P3 O9)2 (H2 O)3 Acta Crystallographica B (24,1968-38,1982), 1976, 32, 3246-3249 |
1008001 | CIF | Ag0.62 H18.38 O19 P3 Zn2 | P -1 | 10.473; 10.683; 8.629 101.08; 109.81; 98.87 | 865.9 | Averbuch-Pouchot, M T; Guitel, J C Structure cristalline d'un tripolyphosphate acide mixte zinc-argent nonahydrate: Zn~2~ Ag~0.62~ H~0.38~ P~3~ O~10~ (H~2~ O)~9~ Acta Crystallographica B (24,1968-38,1982), 1976, 32, 2270-2274 |
1008005 | CIF | H13 O16 P3 Zn2 | P -1 | 10.714; 10.658; 8.391 114.51; 103.21; 74.31 | 831.9 | Averbuch-Pouchot, M T; Guitel, J C Structure cristalline du tripolyphosphate acide de zinc hexahydrate, Zn~2~ H P~3~ O~10~ (H~2~ O)~6~ Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1670-1673 |
1008006 | CIF | Fe2 S4 Si | P n m a | 12.407; 7.198; 5.812 90; 90; 90 | 519 | Vincent, H; Bertaut, E Polyhedral deformations in olivine-type compounds and the crystal structure of Fe~2~ Si S~4~ and Fe~2~ Ge S~4~ Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1749-1755 |
1008007 | CIF | Fe2 Ge S4 | P n m a | 12.467; 7.213; 5.902 90; 90; 90 | 530.7 | Vincent, H; Bertaut, E Polyhedral deformations in olivine-type compounds and the crystal structure of Fe~2~ Si S~4~ and Fe~2~ Ge S~4~ Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1749-1755 |
1008008 | CIF | Hg Li2 O12 P4 | P 1 21/a 1 | 9.525; 9.989; 9.461 90; 92.01; 90 | 899.6 | Averbuch-Pouchot, M T; Tordjman, I; Guitel, J C Structures cristallines des polyphosphates de cadmium-lithium et de mercure-lithium Cd Li~2~ (P O~3~)~4~ et Hg Li~2~ (P O~3~)~4~ Acta Crystallographica B (24,1968-38,1982), 1976, 32, 2953-2956 |
1008009 | CIF | Cd Li2 O12 P4 | P n a m | 9.495; 10.15; 9.375 90; 90; 90 | 903.5 | Averbuch-Pouchot, M T; Tordjman, I; Guitel, J C Structures cristallines des polyphosphates de cadmium-lithium et de mercure-lithium Cd Li~2~ (P O~3~)~4~ et Hg Li~2~ (P O~3~)~4~ Acta Crystallographica B (24,1968-38,1982), 1976, 32, 2953-2956 |
1008094 | CIF | Cs2 Cu N6 O12 Pb | B 1 1 2/b | 7.734; 15.531; 21.376 90; 90; 90.1 | 2567.6 | Klein, S.; Reinen, D. The Structure of the Low-Temperature γ-Modification of Cs~2~PbCu(NO~2~)~6~: A Powder Neutron Diffraction Study at 160 K Journal of Solid State Chemistry, 1980, 32, 311-319 |
1008095 | CIF | Bi0.05 F2.05 Pb0.95 | F m -3 m | 5.939; 5.939; 5.939 90; 90; 90 | 209.5 | Lucat, C; Portier, J; Reau, J M; Hagenmueller, P; Soubeyroux, J L Etude par diffraction de neutrons de la solution solide Pb~1-x~ Bi~x~ F~2+x~: Correlations entre structure et conductivite ionique Journal of Solid State Chemistry, 1980, 32, 279-287 |
1008096 | CIF | Bi0.1 F2.1 Pb0.9 | F m -3 m | 5.932; 5.932; 5.932 90; 90; 90 | 208.7 | Lucat, C; Portier, J; Reau, J M; Hagenmueller, P; Soubeyroux, J L Etude par diffraction de neutrons de la solution solide Pb~1-x~ Bi~x~ F~2+x~: Correlations entre structure et conductivite ionique Journal of Solid State Chemistry, 1980, 32, 279-287 |
1008097 | CIF | Bi0.15 F2.15 Pb0.85 | F m -3 m | 5.926; 5.926; 5.926 90; 90; 90 | 208.1 | Lucat, C; Portier, J; Reau, J M; Hagenmueller, P; Soubeyroux, J L Etude par diffraction de neutrons de la solution solide Pb~1-x~ Bi~x~ F~2+x~: Correlations entre structure et conductivite ionique Journal of Solid State Chemistry, 1980, 32, 279-287 |
1008098 | CIF | Bi0.25 F2.25 Pb0.75 | F m -3 m | 5.919; 5.919; 5.919 90; 90; 90 | 207.4 | Lucat, C; Portier, J; Reau, J M; Hagenmueller, P; Soubeyroux, J L Etude par diffraction de neutrons de la solution solide Pb~1-x~ Bi~x~ F~2+x~: Correlations entre structure et conductivite ionique Journal of Solid State Chemistry, 1980, 32, 279-287 |
1008099 | CIF | Bi0.3 F2.3 Pb0.7 | F m -3 m | 5.913; 5.913; 5.913 90; 90; 90 | 206.7 | Lucat, C; Portier, J; Reau, J M; Hagenmueller, P; Soubeyroux, J L Etude par diffraction de neutrons de la solution solide Pb~1-x~ Bi~x~ F~2+x~: Correlations entre structure et conductivite ionique Journal of Solid State Chemistry, 1980, 32, 279-287 |
1008100 | CIF | Bi0.4 F2.4 Pb0.6 | F m -3 m | 5.905; 5.905; 5.905 90; 90; 90 | 205.9 | Lucat, C; Portier, J; Reau, J M; Hagenmueller, P; Soubeyroux, J L Etude par diffraction de neutrons de la solution solide Pb~1-x~ Bi~x~ F~2+x~: Correlations entre structure et conductivite ionique Journal of Solid State Chemistry, 1980, 32, 279-287 |
1008101 | CIF | Bi0.5 F2.5 Pb0.5 | F m -3 m | 5.894; 5.894; 5.894 90; 90; 90 | 204.8 | Lucat, C; Portier, J; Reau, J M; Hagenmueller, P; Soubeyroux, J L Etude par diffraction de neutrons de la solution solide Pb~1-x~ Bi~x~ F~2+x~: Correlations entre structure et conductivite ionique Journal of Solid State Chemistry, 1980, 32, 279-287 |
1008745 | CIF | Mn Nb O6 Ta | P b c n | 14.418; 5.76; 5.099 90; 90; 90 | 423.5 | Klein, S; Weitzel, H Magnetische Struktur von Mn (Nb0.5 Ta0.5)2 O6, Manganotantalit Acta Crystallographica A (24,1968-38,1982), 1976, 32, 587-591 |
1008754 | CIF | Al4 K Na3 O16 Si4 | P 63 | 10.05; 10.05; 8.38 90; 90; 120 | 733 | Buerger, M J; Klein, G E; Hamburger, G The structure of nepheline American Mineralogist, 1947, 32, 197-197 |
1009051 | CIF | Mn3 N Zn | P m -3 m | 3.902; 3.902; 3.902 90; 90; 90 | 59.4 | Fruchart, D; Bertaut, E F; Madar, R; Fruchart, R Diffraction neutronique de Mn3 Zn N Journal de Physique (Paris), Colloque., 1971, 32, 876-877 |
1010655 | CIF | F2 Ra | F m -3 m | 6.368; 6.368; 6.368 90; 90; 90 | 258.2 | Schulze, G E R Die Kristallstruktur von Radiumfluorid Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1936, 32, 430-432 |
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