Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1001855 | CIF | Nb2 O12 P3 | R -3 c :H | 8.6974; 8.6974; 22.12299 90; 90; 120 | 1449.3 | Leclaire, A; Borel, M M; Grandin, A; Raveau, B A mixed-valence niobium phosphate with an empty nasicon structure: Nb2 (P O4)3 Acta Crystallographica C (39,1983-), 1989, 45, 699-701 |
| 1001856 | CIF | Li2 O6 Te Ti | P n n 2 | 5.072; 4.903; 8.402 90; 90; 90 | 208.9 | Choisnet, J; Rulmont, A; Tarte, P Ordering phenomena in the Li Sb O3 type structure: The new mixed tellurates Li2 Ti Te O6 and Li2 Sn Te O6 Journal of Solid State Chemistry, 1989, 82, 272-278 |
| 1001857 | CIF | K O25 P6 Si2 Ti3 | P -3 1 c | 8.2648; 8.2648; 17.03799 90; 90; 120 | 1007.9 | Benmoussa, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25 and Cs Ti3 P6 Si2 O25 Acta Crystallographica C (39,1983-), 1991, 47, 936-938 |
| 1001858 | CIF | Cs O25 P6 Si2 Ti3 | P -3 1 c | 8.2145; 8.2145; 17.24899 90; 90; 120 | 1008 | Benmoussa, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25 and Cs Ti3 P6 Si2 O25 Acta Crystallographica C (39,1983-), 1991, 47, 936-938 |
| 1001859 | CIF | Ca0.504 Cs2 Nb6 O24 P3 | R 3 2 :H | 13.3799; 13.3799; 10.3713 90; 90; 120 | 1607.9 | Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B A niobium phosphate with a tunnel structure: Ca0.5Cs2Nb6P3O24 Journal of Solid State Chemistry, 1991, 90, 279-284 |
| 1001860 | CIF | K3 Nb8 O21 | P 63/m c m | 9.1584; 9.1584; 12.0404 90; 90; 120 | 874.6 | Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B Single-crystal structure of K3 Nb8 O21 Acta Crystallographica C (39,1983-), 1993, 49, 439-441 |
| 1001861 | CIF | Ca0.75 K6.5 Nb14 O47 Si4 | P 63/m c m | 9.046; 9.046; 27.883 90; 90; 120 | 1976 | Borel, M M; Chardon, J; Grandin, A; Leclaire, A; Raveau, B Structure of a new siliconiobate K6.5 Ca0.75 Nb14 Si4 O47 Acta Crystallographica C (39,1983-), 1993, 49, 570-571 |
| 1001862 | CIF | Na Nb6 O24 P3 Rb2 | R 3 2 :H | 13.3518; 13.3518; 10.3415 90; 90; 120 | 1596.6 | Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B A large family of niobium phosphates with the Ca0.5 Cs2 Nb6 P3 O24 structure Materials Research Bulletin, 1991, 26, 301-307 |
| 1001863 | CIF | Al3 Cs7 K2 Mo9 O59 P11 | P 63/m | 16.952; 16.952; 11.833 90; 90; 120 | 2944.9 | Guesdon, A; Leclaire, A; Borel, M M; Raveau, B Significant structural disorganization in alkaline molybdenum(V) aluminophosphates Chemistry of Materials (1,1989-, 1995, 7, 1873-1878 |
| 1004000 | CIF | C6 H30 N6 S8 W6 | P -1 | 9.0847; 9.1602; 9.566 103.732; 116.622; 106.265 | 619.1 | Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J. Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds Inorganic Chemistry, 2001, 40, 2666-2674 |
| 1004001 | CIF | C72 H162 P6 S8 W6 | C 1 2/c 1 | 24.6648; 19.8619; 20.1365 90; 103.324; 90 | 9599.1 | Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J. Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds Inorganic Chemistry, 2001, 40, 2666-2674 |
| 1004002 | CIF | C114 H96 P6 S8 W6 | P -1 | 14.6107; 16.6282; 21.2344 96.3869; 93.7166; 92.1225 | 5111 | Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J. Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds Inorganic Chemistry, 2001, 40, 2666-2674 |
| 1004003 | CIF | C44 H90 F6 O2 P7 S8 W6 | R -3 :H | 13.9117; 13.9117; 32.4106 90; 90; 120 | 5432.23 | Laurie I. Hill; Song Jin; Ran Zhou; D. Venkataraman; Francis J. DiSalvo Synthesis and Characterization of Oxidized W6S8L6 Clusters Inorganic Chemistry, 2001, 40, 2660-2665 |
| 1004004 | CIF | C51.5 H91.5 N11 O7.25 S8 W6 | C 1 2/c 1 | 14.8105; 18.5419; 25.108 90; 104.284; 90 | 6681.8 | Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J. Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds Inorganic Chemistry, 2001, 40, 2666-2674 |
| 1004005 | CIF | C54 H78 N6 S8 W6 | P -1 | 12.1751; 12.5456; 12.7678 111.532; 110.339; 93.1387 | 1663.41 | Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J. Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds Inorganic Chemistry, 2001, 40, 2666-2674 |
| 1004007 | CIF | C32 H88 N8 S8 W6 | C 1 2/c 1 | 23.1036; 20.8216; 11.497 90; 99.703; 90 | 5451.46 | Song Jin; Ran Zhou; Ellen M. Scheuer; Jennifer Adamchuk; Lori L. Rayburn; Francis J. DiSalvo Synthesis, Characterization, and Ligand Exchange Studies of W6S8L6 Cluster Compounds Inorganic Chemistry, 2001, 40, 2666-2674 |
| 1004008 | CIF | Cr Cu P2 Se6 | C 1 2 1 | 6.221; 10.7702; 6.935 90; 107.09; 90 | 444.14 | Bourdon, X.; Maisonneuve, V.; Cajipe, V. B.; Payen, C.; Fischer, J. E. Copper sublattice ordering in layered Cu M P~2~ Se~6~ (M = In, Cr) Journal of Alloys and Compounds, 1999, 283, 122-127 |
| 1004009 | CIF | Cu In P2 Se6 | P -3 1 c | 6.4024; 6.4024; 13.358 90; 90; 120 | 474.2 | Bourdon, X.; Maisonneuve, V.; Cajipe, V. B.; Payen, C.; Fischer, J. E. Copper sublattice ordering in layered Cu M P~2~ Se~6~ (M = In, Cr) Journal of Alloys and Compounds, 1999, 283, 122-127 |
| 1004010 | CIF | C6 H18 Al F5 N2 | P 1 21 1 | 7.898; 5.514; 12.672 90; 103.69; 90 | 536.182 | S.P.Thanh; J.Renaudin; V.Maisonneuve Solid State Sciences, 2000, 2, 143 |
| 1004012 | CIF | Cu Ge La3 S7 | P 63 | 10.2935; 10.2935; 5.8619 90; 90; 120 | 537.89 | Poduska, K. M.; DiSalvo, F. J.; Min, K.; Halasyamani, P. S. Structure determination of La~3~CuGeS~7~ and La~3~CuGeSe~7~ Journal of Alloys and Compounds, 2002, 335, L5-L9 |
| 1004013 | CIF | La3 N6 Nb2 | I 4/m m m | 4.0698; 4.0698; 20.154 90; 90; 90 | 333.81 | Cario, L.; Gal, Z. A.; Braun, T. P.; DiSalvo, F. J.; Blaschkowski, B.; Meyer, H. J. Ln3T2N6 (Ln=La, Ce, Pr; T=Ta, Nb), a New Family of Ternary Nitrides Isotypic to a High Tc Cuprate Superconductor Journal of Solid State Chemistry, 2001, 162, 90-95 |
| 1004014 | CIF | La3 N6 Ta1.8 | I 4/m m m | 4.0399; 4.0399; 20.185 90; 90; 90 | 329.44 | Cario, L.; Gal, Z. A.; Braun, T. P.; DiSalvo, F. J.; Blaschkowski, B.; Meyer, H. J. Ln3T2N6 (Ln=La, Ce, Pr; T=Ta, Nb), a New Family of Ternary Nitrides Isotypic to a High Tc Cuprate Superconductor Journal of Solid State Chemistry, 2001, 162, 90-95 |
| 1004015 | CIF | La3 N6 Ta2 | I 4/m m m | 4.0674; 4.0674; 20.4506 90; 90; 90 | 338.33 | Cario, L.; Gal, Z. A.; Braun, T. P.; DiSalvo, F. J.; Blaschkowski, B.; Meyer, H. J. Ln3T2N6 (Ln=La, Ce, Pr; T=Ta, Nb), a New Family of Ternary Nitrides Isotypic to a High Tc Cuprate Superconductor Journal of Solid State Chemistry, 2001, 162, 90-95 |
| 1004016 | CIF | H O4 P Sr | P b c a | 8.131; 9.258; 18.084 90; 90; 90 | 1361.31 | Ben Taher, L.; Smiri, L.; Laligant, Y.; Maisonneuve, V. Investigation of th alkaline earth phosphates: synthesis and crystal structure of a new strontium hydrogen phosphate form Journal of Solid State Chemistry, 2000, 152, 428-434 |
| 1004017 | CIF | Ce3 N6 Ta1.97 | I 4/m m m | 4.0451; 4.0451; 19.995 90; 90; 90 | 327.18 | Cario, L.; Gal, Z. A.; Braun, T. P.; DiSalvo, F. J.; Blaschkowski, B.; Meyer, H. J. Ln3T2N6 (Ln=La, Ce, Pr; T=Ta, Nb), a New Family of Ternary Nitrides Isotypic to a High Tc Cuprate Superconductor Journal of Solid State Chemistry, 2001, 162, 90-95 |
| 1004018 | CIF | Cu O4 Tm2 | I 4/m m m | 3.83; 3.83; 11.6 90; 90; 90 | 170.159 | Bordet, P.; Capponi, J.-J.; Chaillout, C.; Chateigner, D.; Chenavas, J.; Fournier, T.; Hodeau, J.-L.; Marezio, M.; Perroux, M.; Thomas, G.; Varela, A. High pressure synthesis and structural study of R2CuO4 compounds with R=Y,Tb,Dy,Ho,Er,Tm Physica C, 1992, 193, 178-188 |
| 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 |
| 1004020 | CIF | Ca O3 Sn | R -3 :R | 6; 6; 6 54.42; 54.42; 54.42 | 132.9 | Durand, B; Loiseleur, H Crystal data for an ilmenite variety of calcium stannate Ca Sn O~3~ Journal of Applied Crystallography, 1978, 11, 289-290 |
| 1004021 | CIF | Mn O3 Sn | R -3 :R | 5.74; 5.74; 5.74 55.65; 55.65; 55.65 | 120.2 | 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 |
| 1004022 | CIF | Ca O3 Sn | R -3 :R | 6; 6; 6 54.42; 54.42; 54.42 | 132.9 | 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 |
| 1004023 | CIF | Cr2 K La O8 | P 1 21/c 1 | 8.729; 7.4752; 11.049 90; 92.42; 90 | 720.3 | Bueno, I; Parada, C; Garcia, O; Puebla, E G; Monge, A; Valero, C R Crystal growth, structure, and properties of K La (Cr O~4~)~2~ Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1988, 1988, 1911-1914 |
| 1004024 | CIF | F4 H8 N2 O Ti | P 1 21/m 1 | 6.3245; 7.5422; 11.0095 90; 90.12; 90 | 525.2 | Patarin, J; Marcuccilli-Hoffner, F; Kessler, H; Daniels, P Synthesis and structure determination of (N H4)2 Ti F4 O European Journal of Solid State Inorganic Chemistry, 1994, 31, 501-511 |
| 1004025 | CIF | C16 H96 N8 O68 P16 Zn8 | C 1 c 1 | 12.645; 10.8477; 14.6311 90; 98.793; 90 | 1983.3 | Reinert, P.; Zabukovec Logar, N.; Patarin, J.; Kaucic, V. Synthesis and structure of [Zn~8~(HPO~4~)~8~(H~2~PO~4~)~8~] · [(C~2~H~8~N)~8~] · 4H~2~O European Journal of Solid State and Inorganic Chemistry, 1998, 35, 373-387 |
| 1004026 | CIF | F1.8 H0.98 O2.2 Si0.305 Zr | I 41/a m d :2 | 6.64025; 6.64025; 5.92625 90; 90; 90 | 261.3 | Valéro, R.; Paillaud, J. L.; Durand, B.; Guth, J. L.; Chopin, T. Rietveld refinement of two fluoro-hydroxy-zircons European Journal of Solid State and Inorganic Chemistry, 1998, 35, 735-743 |
| 1004027 | CIF | F1.8 H1.376 O2.2 Si0.206 Zr | I 41/a m d :2 | 6.64821; 6.64821; 5.90758 90; 90; 90 | 261.1 | Valéro, R.; Paillaud, J. L.; Durand, B.; Guth, J. L.; Chopin, T. Rietveld refinement of two fluoro-hydroxy-zircons European Journal of Solid State and Inorganic Chemistry, 1998, 35, 735-743 |
| 1004028 | CIF | C10 H30 Co4 Ga6 N4 O41 P10 | P -1 | 9.848; 12.47; 12.603 63.47; 74.56; 76.03 | 1321.2 | Josien, L.; Simon-Masseron, A.; Gramlich, V.; Patarin, J.; Rouleau, L. Synthesis and crystal structure of IM-6, a new open framework cobalt-gallium phosphate with 10- and 12-membered pore openings Chemistry - A European Journal, 2003, 9, 856-861 |
| 1004029 | CIF | C5 H16 Ga6 N2 O27 P6 | A b a 2 | 18.035; 10.513; 14.293 90; 90; 90 | 2710 | Josien, L.; Simon, A.; Gramlich, V.; Patarin, J. Synthesis and characterization of the new hydroxygallophosphate Mu-18 with a framework topology closely related to that of the hydroxyaluminophosphate AlPO~4^-^~EN3 Chemistry of Materials, 2001, 13, 1305-1311 |
| 1004030 | CIF | C5 H17 N O10 P2 Zn | P 21 21 21 | 9.976; 10.359; 12.98 90; 90; 90 | 1341.4 | Simon, A.; Josien, L.; Gramlich, V.; Patarin, J. Synthesis and characterization of Mu-19, a new zincophosphate with a three dimensional 12-membered ring channel system Microporous and Mesoporous Materials, 2001, 47, 135-146 |
| 1004031 | CIF | C5 H18 N2 O9 P2 Zn | C 1 2/c 1 | 13.917; 9.091; 20.489 90; 102.36; 90 | 2532.2 | Fleith, S.; Josien, L.; Simon-Masseron, A.; Gramlich, V.; Patarin, J. Synthesis and characterization of the one-dimensional zincophosphate Mu-22 : [Zn(HPO4)2]8[C5H13N2]88H2O Solid State Sciences, 2002, 4, 135-141 |
| 1004032 | CIF | C12 H43 F6 Ga5 N4 O22 P4 | P -1 | 8.735; 8.864; 12.636 98.36; 100.18; 115.84 | 838.9 | Josien, L.; Simon, A.; Gramlich, V.; Patarin, J. Hydrothermal synthesis and characterization of the new layered fluorogallophosphate Mu-23 Chemistry - A European Journal, 2002, 8, 1614-1620 |
| 1004033 | CIF | C6 H18 N2 O12 P3 Zn2 | P 1 21/n 1 | 8.641; 14.364; 12.581 90; 96.39; 90 | 1551.8 | Josien, L.; Simon-Masseron, A.; Fleith, S.; Gramlich, V.; Patarin, J. Hydrothermal synthesis and characterization of new phosphate-based materials prepared in the presence of 1,4-dimethylpiperazine Impact of Zeolites and other Porous Materials on the new Technologies at the Beginning of the New Millennium Proceedings of the 2nd International FEZA (Federation of the European Zeolite Associations) Conference, 2002, 142, 415-422 |
| 1004034 | CIF | Cl5 H2 In K2 O | P n m a | 13.905; 9.952; 7.185 90; 90; 90 | 994.3 | Wignacourt, J P; Mairesse, G; Barbier, P Potassium pentachloroindate monohydrate, K~2~ (In Cl~5~, H~2~ O) Crystal Structure Communications, 1976, 5, 293-296 |
| 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 |
| 1004036 | CIF | Al Cl4 Li | P 1 21/c 1 | 7.007; 6.504; 12.995 90; 93.32; 90 | 591.2 | Mairesse, G; Barbier, P; Vignacourt, J P Lithium tetrachloroaluminate, Li Al Cl~4~ Crystal Structure Communications, 1977, 6, 15-18 |
| 1004037 | CIF | Bi2.37 H1.9 K1.14 O6.8 | F d -3 m :2 | 10.965; 10.965; 10.965 90; 90; 90 | 1318.3 | Trehoux, J; Abraham, F; Thomas, D Etude structurale d'un pyrochlore non stoechiometrique et desordonne contenant Bi(III) et Bi(V) Journal of Solid State Chemistry, 1977, 21, 203-209 |
| 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 |
| 1004040 | CIF | Bi3 O11 Ru3 | P n -3 :2 | 9.302; 9.302; 9.302 90; 90; 90 | 804.9 | Abraham, F; Thomas, D Structure cristalline de Bi~3~ Ru~3~ O~11~ Bulletin de la Societe Chimique de France (Vol=Year), 1975, 1975, 25-29 |
| 1004041 | CIF | H2 K3 N O7 S2 | P -1 | 8.126; 7.978; 6.762 103.36; 90.98; 97.86 | 422 | Barbier, P; Parent, Y; Mairesse, G Crystal structure of K~3~ N (S O~3~)~2~ H~2~ O (I) and refinement of the crystal structure of K~2~ N H (S O~3~)~2~ (II) Acta Crystallographica B (24,1968-38,1982), 1979, 35, 1308-1312 |
| 1004042 | CIF | H K2 N O6 S2 | P 1 2/c 1 | 12.456; 7.483; 7.185 90; 91.24; 90 | 669.5 | Barbier, P; Parent, Y; Mairesse, G Crystal structure of K~3~ N (S O~3~)~2~ H~2~ O (I) and fefinement of the crystal structure of K~2~ N H (S O~3~)~2~ (II) Acta Crystallographica B (24,1968-38,1982), 1979, 35, 1308-1312 |
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