Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1000022 | CIF | Ca O3 Ti | P b n m | 5.38; 5.44; 7.639 90; 90; 90 | 223.6 | Beran, A; Libowitzky, E; Armbruster, T A single-crystal infrared spectroscopic and X-ray diffraction study of untwinned San Benito perovskite containing O H groups Canadian Mineralogist, 1996, 34, 803-809 |
1000136 | CIF | H2 K2 O10 Si3 Ti | P 21 21 21 | 7.1362; 9.9084; 12.9414 90; 90; 90 | 915.1 | Dadachov, M S; Le Bail, A Structure of zeolitic K2 Ti Si3 O9 . (H2 O) determined ab initio from powder diffraction data European Journal of Solid State Inorganic Chemistry, 1997, 34, 381-390 |
1000139 | CIF | Ba F5 Ga H4 O2 | P 1 21/m 1 | 10.0626; 5.807; 4.9788 90; 103.359; 90 | 283.1 | Jouanneaux, A; Le Bail, A Structure of Ba Ga F5 . 2(H2 O) from conventional and synchrotron powder diffraction data European Journal of Solid State Inorganic Chemistry, 1997, 34, 925-936 |
1000140 | CIF | Ca H2 Na2 O8 P2 | P 1 21 1 | 9.0652; 7.1468; 5.47 90; 98.782; 90 | 350.2 | Ben Chaabane, T; Smiri-Dogguy, L; Laligant, Y; Le Bail, A Structure of Na2 Ca (H P O4)2 determined ab initio from conventional powder diffraction data European Journal of Solid State Inorganic Chemistry, 1997, 34, 937-946 |
1000159 | CIF | Cr F5 Mn | C 1 2/c 1 | 8.856; 6.291; 7.381 90; 115.46; 90 | 371.3 | Ferey, G; de Pape, R; Boucher, B Structure magnetique du fluorure antiferromagnetique Mn Cr F~5~ Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1084-1091 |
1000160 | CIF | Cr F5 Mn | C 1 2/c 1 | 8.856; 6.291; 7.381 90; 115.46; 90 | 371.3 | Ferey, G; de Pape, R; Boucher, B Structure cristalline du fluorure antiferromagnetique Mn Cr F~5~ Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1084-1091 |
1000430 | CIF | F2 Fe O4 P Sr | P 1 21/n 1 | 5.207; 12.216; 7.037 90; 103; 90 | 436.1 | Le Meins, J-M; Hemon-Ribaud, A; Laligant, Y; Courbion, G A new fluorophosphate with a laueite-type structural unit: synthesis, TEM study and crystal structure of Sr Fe P O4 F2 European Journal of Solid State Inorganic Chemistry, 1997, 34, 391-404 |
1000431 | CIF | Fe2 O13 V4 | P 1 21/c 1 | 8.3125; 9.4055; 14.5768 90; 102.231; 90 | 1113.8 | Permer, L; Laligant, Y Crystal structure of the tetrapolyvanadate Fe2 V4 O13 European Journal of Solid State Inorganic Chemistry, 1997, 34, 41-52 |
1000440 | CIF | Ba2 Ca H6 O16 P4 | P 1 21/a 1 | 12.3872; 10.2046; 5.4946 90; 100.767; 90 | 682.3 | Toumi, M.; Chabchoub, S.; Smiri-Dogguy, L.; Laligant, Y. Ab-initio powder structure determination of CaBa~2~(HPO~4~)~2~(H~2~PO~4~)~2~: a new phosphate with a M(TΦ~4~)~4~ chain structure European Journal of Solid State and Inorganic Chemistry, 1997, 34, 1249-1257 |
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 |
1001018 | CIF | Ca Cl2 H8 O4 | P 1 21/c 1 | 8.923; 10.221; 12.787 90; 114.68; 90 | 1059.7 | Leclaire, A.; Borel, M. M. La forme β du dichlorure de calcium tétrahydraté Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1978, 34, 900-902 |
1001019 | CIF | Ca Cl H4 N O5 | P b c a | 9.052; 6.676; 19.797 90; 90; 90 | 1196.4 | Leclaire, A; Borel, M M Identification et structure du chlorure nitrate de calcium dihydrate Acta Crystallographica B (24,1968-38,1982), 1978, 34, 902-904 |
1001020 | CIF | O3 Rb0.28 W | P 63/m c m | 7.3875; 7.3875; 7.5589 90; 90; 120 | 357.3 | Labbe, P H; Goreaud, M; Raveau, B; Monier, J C Etude comparative des structures M~x~ WO~3~ de type bronze hexagonal. I. Analyse structurale des bronzes de composition M~0.30~ W O~3~ . Stereochimie des elements M=Rb, Tl et In Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1433-1438 |
1001021 | CIF | O3 Tl0.3 W | P 63/m c m | 7.381; 7.381; 7.5091 90; 90; 120 | 354.3 | Labbe, P H; Goreaud, M; Raveau, B; Monier, J C Etude comparative des structures M~x~ WO~3~ de type bronze hexagonal. I. Analyse structurale des bronzes de composition M~0.30~ W O~3~ . Stereochimie des elements M=Rb, Tl et In Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1433-1438 |
1001055 | CIF | Gd0.29 O3 Ta0.87 W0.13 | P m m m | 3.869; 7.737; 3.858 90; 90; 90 | 115.5 | Desgardin, G; Raveau, B Sur de nouvelles phases non stoechiometriques de type Perovskite Gd~x~ (Ta~3x~ W~1-3x~) O~3~ Journal of Inorganic and Nuclear Chemistry, 1972, 34, 509-516 |
1001056 | CIF | Gd0.07 O3 Ta0.21 W0.79 | C m m m | 5.326; 5.383; 3.786 90; 90; 90 | 108.5 | Desgardin, G; Raveau, B Sur de nouvelles phases non stoechiometriques de type Perovskite Gd~x~ (Ta~3x~ W~1-3x~) O~3~ Journal of Inorganic and Nuclear Chemistry, 1972, 34, 509-516 |
1001136 | CIF | Cu2 K2 Mg3 O30 Si12 | P 6/m c c | 10.169; 10.169; 14.182 90; 90; 120 | 1270.1 | Nguyen, N; Choisnet, J; Raveau, B Silicates synthetiques a structure milarite Journal of Solid State Chemistry, 1980, 34, 1-9 |
1001137 | CIF | K2 Mg3 O30 Si12 Zn2 | P 6/m c c | 10.199; 10.199; 14.145 90; 90; 120 | 1274.2 | Nguyen, N; Choisnet, J; Raveau, B Silicates synthetiques a structure milarite Journal of Solid State Chemistry, 1980, 34, 1-9 |
1001138 | CIF | Mg5 Na2 O30 Si12 | P 6/m c c | 10.151; 10.151; 14.288 90; 90; 120 | 1275 | Nguyen, N; Choisnet, J; Raveau, B Silicates synthetiques a structure milarite Journal of Solid State Chemistry, 1980, 34, 1-9 |
1001139 | CIF | Cu2 Mg3 Na2 O30 Si12 | P 6/m c c | 10.096; 10.096; 14.25 90; 90; 120 | 1257.9 | Nguyen, N; Choisnet, J; Raveau, B Silicates synthetiques a structure milarite Journal of Solid State Chemistry, 1980, 34, 1-9 |
1001140 | CIF | Mg5 Na O30 Rb Si12 | P 6/m c c | 10.135; 10.135; 14.376 90; 90; 120 | 1278.8 | Nguyen, N; Choisnet, J; Raveau, B Silicates synthetiques a structure milarite Journal of Solid State Chemistry, 1980, 34, 1-9 |
1001141 | CIF | K3 Li Mg4 O30 Si12 | P 6/m c c | 10.253; 10.253; 14.04 90; 90; 120 | 1278.2 | Nguyen, N; Choisnet, J; Raveau, B Silicates synthetiques a structure milarite Journal of Solid State Chemistry, 1980, 34, 1-9 |
1001142 | CIF | Li Mg4 Na3 O30 Si12 | P 6/m c c | 10.155; 10.155; 14.158 90; 90; 120 | 1264.4 | Nguyen, N; Choisnet, J; Raveau, B Silicates synthetiques a structure milarite Journal of Solid State Chemistry, 1980, 34, 1-9 |
1001202 | CIF | La6 O18 Re4 | P -1 | 6.858; 11.198; 5.673 105.32; 111.17; 92.94 | 386.6 | Besse, J P; Baud, G; Chevalier, R; Gasperin, M Structure Cristalline d'Oxydes Doubles de Rhenium. II.L'Oxyde de Lanthane-Rhenium La~6~ Re~4~ O~18~ Acta Crystallographica B (24,1968-38,1982), 1978, 34, 3532-3535 |
1001663 | CIF | Cu Nd O2.5 | P b a m | 5.596; 10.29; 3.806 90; 90; 90 | 219.2 | Chen, B - H; Walker, D; Suard, E; Scott, B A; Mercey, B; Hervieu, M; Raveau, B High pressure synthesis of Nd Cu O3-d perovskites (0<d<0.5) Inorganic Chemistry, 1995, 34, 2077-2083 |
1001664 | CIF | Cu Nd O2.6 | P 1 1 2/m | 8.56; 8.534; 3.777 90; 90; 90.45 | 275.9 | Chen, B - H; Walker, D; Suard, E; Scott, B A; Mercey, B; Hervieu, M; Raveau, B High pressure synthesis of Nd Cu O3-d perovskites (0<d<0.5) Inorganic Chemistry, 1995, 34, 2077-2083 |
1001665 | CIF | Cu Nd O2.93 | P b n m | 5.334; 6.308; 7.196 90; 90; 90 | 242.1 | Chen, B - H; Walker, D; Suard, E; Scott, B A; Mercey, B; Hervieu, M; Raveau, B High pressure synthesis of Nd Cu O3-d perovskites (0<d<0.5) Inorganic Chemistry, 1995, 34, 2077-2083 |
1001721 | CIF | Fe2 K2 Mg3 O30 Si12 | P 6/m c c | 10.22; 10.22; 14.176 90; 90; 120 | 1282.3 | Nguyen, N; Choisnet, J; Raveau, B Silicates synthetiques a structure milarite Journal of Solid State Chemistry, 1980, 34, 1-9 |
1001742 | CIF | K Mg5 Na O30 Si12 | P 6/m c c | 10.152; 10.152; 14.28 90; 90; 120 | 1274.6 | Nguyen, N; Choisnet, J; Raveau, B Silicates synthetiques a structure milarite Journal of Solid State Chemistry, 1980, 34, 1-9 |
1001793 | CIF | C Cu1.85 Fe0.3 O10 Sr4 Tl0.85 | P 4/m m m | 3.8246; 3.8246; 16.5069 90; 90; 90 | 241.5 | Letouze, F; Martin, C; Hervieu, M; Nguyen, N; Maignan, A; Michel, C; Raveau, B Stabilisation of a thallium oxycarbonate by trivalent iron: Tl0.85 Sr4 Cu1.85 Fe0.30 (C O3) O7 European Journal of Solid State Inorganic Chemistry, 1997, 34, 983-990 |
1001794 | CIF | Ba1.95 Ca Cu2 Hg0.69 O7 Sr0.05 V0.31 | P 4/m m m | 3.8687; 3.8687; 12.496 90; 90; 90 | 187 | Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d European Journal of Solid State Inorganic Chemistry, 1997, 34, 1063-1074 |
1001795 | CIF | Ba1.7 Ca Cu2 Hg0.67 O7 Sr0.3 V0.33 | P 4/m m m | 3.8643; 3.8643; 12.445 90; 90; 90 | 185.8 | Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d European Journal of Solid State Inorganic Chemistry, 1997, 34, 1063-1074 |
1001796 | CIF | Ba1.59 Ca0.9 Cu2 Hg0.69 O7 Sr0.51 V0.31 | P 4/m m m | 3.8628; 3.8628; 12.407 90; 90; 90 | 185.1 | Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d European Journal of Solid State Inorganic Chemistry, 1997, 34, 1063-1074 |
1001797 | CIF | Ba1.33 Ca0.87 Cu2 Hg0.69 O7 Sr0.8 V0.31 | P 4/m m m | 3.8601; 3.8601; 12.35 90; 90; 90 | 184 | Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d European Journal of Solid State Inorganic Chemistry, 1997, 34, 1063-1074 |
1001798 | CIF | Ba1.13 Ca0.8 Cu2 Hg0.69 O7 Sr1.07 V0.31 | P 4/m m m | 3.8575; 3.8575; 12.295 90; 90; 90 | 183 | Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d European Journal of Solid State Inorganic Chemistry, 1997, 34, 1063-1074 |
1001818 | CIF | Al1.15 Ba0.04 Cr0.01 Fe0.25 H2 K0.89 Mg1.57 Mn0.4 Na0.1 O12 Si2.92 Ti0.07 Zn0.54 | C 1 2/m 1 | 5.34; 9.524; 10.235 90; 100.07; 90 | 512.5 | Robert, J L; Gasperin, M Crystal Structure Refinement of Hendricksite, a Zn- and Mn-rich Trioctahedral Potassium Mica: a Contribution to the Crystal Chemistry of Zinc-Bearing Minerals TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-), 1985, 34, 1-14 |
1001836 | CIF | In0.3 O3 W | P 63/m c m | 7.375; 7.375; 7.5009 90; 90; 120 | 353.3 | Labbe, P H; Goreaud, M; Raveau, B; Monier, J C Etude comparative des structures Mx W O3 de type bronze hexagonal. I. Analyse structurale des bronzes de composition M0.3 W O3 . Stereochimie des elements M=Rb, Tl et In Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1433-1438 |
1004038 | CIF | Al Cl4 K | P 21 1 1 | 10.481; 7.183; 9.273 93.1; 90; 90 | 697.1 | Mairesse, G; Barbier, P; Wignacourt, J P Potassium tetrachloroaluminate Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1328-1330 |
1004039 | CIF | B Cl4 K O12 S4 | P 1 | 10.513; 10.838; 10.965 99.21; 135.48; 97.15 | 811.7 | Mairesse, G; Drache, M The crystal structure of potassium tetrachlorosulfatoborate, K (B (S O~3~ Cl)~4~) Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1771-1776 |
1004121 | CIF | Co2 H40 N2 O44 V10 | P -1 | 8.836; 10.865; 11.052 65.18; 74.12; 71.57 | 901.3 | Baudrin, E; Denis, S; Touboul, M; Nowogorocki, G Synthesis, crystal structure and thermal properties of (N H4)2 Co2 V10 O28 . 16(H2 O) European Journal of Solid State Inorganic Chemistry, 1997, 34, 1011-1026 |
1007018 | CIF | H8 K4 O22 P6 Zn | C 1 2/m 1 | 12.444; 10.978; 9.624 90; 124.41; 90 | 1084.7 | Seethanen, D; Durif, A; Averbuch-Pouchot, M T Structure cristalline du trimetaphosphate mixte de zinc-potassium tetrahydrate: K~4~ Zn (P~3~ O~9~)~2~ (H~2~ O)~3~ Acta Crystallographica B (24,1968-38,1982), 1978, 34, 14-17 |
1007019 | CIF | H16 Na2 Ni O20 P4 | P 1 21/n 1 | 11.1; 10.71; 7.224 90; 100.2; 90 | 845.2 | Boudjada, A; Durif, A; Guitel, J C Structure cristalline d'un monophosphate acide mixte de nickel-sodium tetrahydrate Na~2~ Ni H~8~ (P O~4~)~4~ (H~2~ O)~4~ Acta Crystallographica B (24,1968-38,1982), 1978, 34, 17-20 |
1007022 | CIF | Ba H2 K O10 P3 | P 1 21/n 1 | 7.34; 17.77; 7.18 90; 95.24; 90 | 932.6 | Seethanen, D; Durif, A Structure cristalline du trimetaphosphate de baryum-potassium monohydrate: Ba K P~3~ O~9~ (H~2~ O) Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1091-1093 |
1007024 | CIF | Ba H4 O8 P2 | P -1 | 8.032; 7.013; 7.202 109.36; 104.46; 96 | 362.7 | Durif, A; Guitel, J C Structure de la forme triclinique du monophosphate acide de baryum Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1671-1672 |
1007030 | CIF | Ag2 Cr2 O7 | P -1 | 6.968; 7.148; 6.544 110.82; 96.11; 91.05 | 302.4 | Durif, A; Averbuch-Pouchot, M T Structure du dichromate d'argent: Ag~2~ Cr~2~ O~7~ Acta Crystallographica B (24,1968-38,1982), 1978, 34, 3335-3337 |
1007083 | CIF | As Cr2 H K2 O10 | P 31 | 7.712; 7.712; 14.644 90; 90; 120 | 754.3 | Averbuch-Pouchot, M T; Durif, A; Guitel, J C Structure de l'Hydrogenobis(chromato)arsenate de Potassium K~2~ H Cr~2~ As O~10~ et Donnees Cristallographiques sur K~2~ H Cr~2~ P O~10~ Acta Crystallographica B (24,1968-38,1982), 1978, 34, 3725-3727 |
1008020 | CIF | Cd H4 K4 O20 P6 | P -1 | 9.235; 7.599; 7.148 96.38; 103.9; 102.06 | 469.3 | Averbuch-Pouchot, M T Donnes cristallochimiques et structure cristalline du trimetaphosphate: Cd K~4~ (P~3~ O~9~)~2~ (H~2~ O)~2~ Acta Crystallographica B (24,1968-38,1982), 1978, 34, 20-22 |
1008026 | CIF | H10 Na2 O8 S2 | P 1 21/c 1 | 5.9522; 21.618; 7.543 90; 103.804; 90 | 942.6 | Lisensky, G C; Levy, H A Sodium thiosulfate pentahydrate: a redetermination by neutron diffraction Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1975-1977 |
1008027 | CIF | H14 K4 Ni O25 P6 | F m 2 m | 23.03; 11.882; 8.732 90; 90; 90 | 2389.4 | Seethanen, D; Tordjman, I; Averbuch-Pouchot, M T Structure cristalline du trimetaphosphate mixte de nickelpotassium heptahydrate, Ni K~4~ (P~3~ O~9~)~2~ (H~2~ O)~7~, et donnees cristallographiques de Co K~4~ (P~3~ O~9~)~2~ (H~2~ O)~7~ Acta Crystallographica B (24,1968-38,1982), 1978, 34, 2387-2390 |
1008028 | CIF | Ba Cl2 H4 O2 | P 1 21/n 1 | 6.7215; 10.908; 7.1316 90; 91.104; 90 | 522.8 | Padmanabhan, V M; Busing, W R; Levy, H A Barium chloride dihydrate by neutron diffraction Acta Crystallographica B (24,1968-38,1982), 1978, 34, 2290-2292 |
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