Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1004144 | CIF | B4 Cs2 H10 O12 | P 1 21/c 1 | 8.424; 11.378; 13.16 90; 92.06; 90 | 1260.5 | Touboul, M; Penin, N; Nowogrocki, G Crystal structure and thermal behavior of Cs2 (B4 O5 (O H)4)3 H2 O Journal of Solid State Chemistry, 1999, 143, 260-265 |
| 1004145 | CIF | O10 Ru3 Sr2 | C 1 2/m 1 | 10.985; 5.635; 6.452 90; 105.3; 90 | 385.2 | Renard, C; Daviero-Minaud, S; Abraham, F High-pressure synthesis and crystal structure of a new strontium ruthenium oxide: Sr2 Ru3 O10 Journal of Solid State Chemistry, 1999, 143, 266-272 |
| 1004146 | CIF | O12 Ru3.05 Sr4 | P 63 m c | 5.566; 5.566; 18.18599 90; 90; 120 | 487.9 | Renard, C; Daviero-Minaud, S; Huve, M; Abraham, F Sr4 Ru3.05 O12: a new member of the hexagonal perovskite family Journal of Solid State Chemistry, 1999, 144, 125-135 |
| 1004147 | CIF | O5 Pb0.3 V2 | C 1 2/m 1 | 15.478; 3.644; 10.123 90; 109.29; 90 | 538.9 | Mentre, O; Huve, M; Abraham, F Bidimensional cationic ordering and thermal dependence in $-beta- Pb(x) V2 O5 bronzes Journal of Solid State Chemistry, 1999, 145, 186-196 |
| 1004148 | CIF | O5 Pb0.304 V2 | P 1 21/m 1 | 15.478; 7.288; 10.123 90; 109.29; 90 | 1077.8 | Mentre, O; Huve, M; Abraham, F Bidimensional cationic ordering and thermal dependence in $-beta- Pb(x) V2 O5 bronzes Journal of Solid State Chemistry, 1999, 145, 186-196 |
| 1004149 | CIF | Cs O11 U V3 | P 1 21/a 1 | 11.904; 6.8321; 12.095 90; 106.989; 90 | 941 | Duribreux, I.; Dion, C.; Abraham, F.; Saadi, M. CsUV~3~O~11~, a new uranyl vanadate with a layered structure Journal of Solid State Chemistry, 1999, 146, 258-265 |
| 1004150 | CIF | Nb27.2 O72 Tl8 | I m 2 m | 7.534; 12.992; 15.555 90; 90; 90 | 1522.6 | Dupont, L; Hervieu, M; Pelloquin, D; Nowogrocki, G; Touboul, M Synthesis and crystal structure determination of Tl8 Nb27.2 O72 using TEM and single-crystal x-ray diffraction Journal of Solid State Chemistry, 1998, 135, 282-292 |
| 1004151 | CIF | B5 O8 Tl | P b c a | 7.557; 11.925; 14.734 90; 90; 90 | 1327.8 | Touboul, M; Nowogrocki, G Dehydration process of Tl B5 O6 (O H)4 . 2(H2 O) and crystal structure of Tl B5 O8 Journal of Solid State Chemistry, 1998, 136, 216-220 |
| 1004152 | CIF | Bi9 Cl O18 V2 | P 1 21/m 1 | 11.671; 5.463; 14.792 90; 93.67; 90 | 941.2 | Mentre, O; Abraham, F Synthesis, crystal structure, infrared characterization, and electrical properties of the new Bi9 (V(1-x) P(x))2 Cl O18 series (0 <= x <= 1) Journal of Solid State Chemistry, 1998, 136, 34-45 |
| 1005000 | CIF | Mo2 O12 Y5 | C 1 2/m 1 | 12.2376; 5.7177; 7.4835 90; 108.034; 90 | 497.9 | Torardi, C C; Fecketter, C; McCarroll, W H; DiSalvo, F J Structure and properties of Y~5~Mo~2~O~12~ and Gd~5~Mo~2~O~12~: Valence oxides with structurally equivalent molybdenum atoms Journal of Solid State Chemistry, 1985, 60, 332-342 |
| 1005001 | CIF | Ca N Ni | P 42/m m c | 3.5809; 3.5809; 7.0096 90; 90; 90 | 89.9 | Chern, M Y; Disalvo, F J Synthesis, structure, electric and magnetic properties of CaNiN Journal of Solid State Chemistry, 1990, 88, 459-464 |
| 1005002 | CIF | Ca2 N2 Zn | I 4/m m m | 3.5835; 3.5835; 12.6583 90; 90; 90 | 162.6 | Chern, M Y; DiSalvo, F J Synthesis, structure and properties of Ca~2~ZnN~2~ Journal of Solid State Chemistry, 1990, 88, 528-533 |
| 1005003 | CIF | Co Nb Te2 | C m c a | 7.84; 14.431; 6.237 90; 90; 90 | 705.6 | Li, J; Badding, M E; DiSalvo, F J New layered ternary niobium tellurides: synthesis, structure and properties of NbMTe~2~ (M=Fe, Co) Inorganic Chemistry, 1992, 31, 1050-1054 |
| 1005004 | CIF | Fe Nb Te2 | P m n a | 7.922; 7.239; 6.243 90; 90; 90 | 358 | Li, J; Badding, M E; DiSalvo, F J New layered ternary niobium tellurides: synthesis, structure and properties of NbMTe~2~ (M=Fe, Co) Inorganic Chemistry, 1992, 31, 1050-1054 |
| 1005005 | CIF | Li7 N4 Nb | P a -3 | 9.829; 9.829; 9.829 90; 90; 90 | 949.6 | Vennos, D A; DiSalvo, F J Structure of lithium niobium nitride Acta Crystallographica C (39,1983-), 1992, 48, 610-612 |
| 1005006 | CIF | N5 Ta3 | C m c m | 3.8862; 10.2118; 10.2624 90; 90; 90 | 407.3 | Brese, N E; O'Keefe, M; Rauch, P; DiSalvo, F J Structure of Ta~3~N~5~ at 16 K by time-of-flight neutron diffraction Acta Crystallographica C (39,1983-), 1991, 47, 2291-2294 |
| 1005007 | CIF | Fe1.25 Ta Te3 | P 1 21/m 1 | 7.436; 3.638; 10.008 90; 109.17; 90 | 255.7 | Badding, M E; Li, J; DiSalvo, F J; Zhou, W; Edwards, P P Characterization of TaFe~1.25~Te~3~, a new layered telluride with an unusual metal network structure Journal of Solid State Chemistry, 1992, 100, 313-324 |
| 1005008 | CIF | As Ca3 N | P b n m | 6.7159; 6.711; 9.5198 90; 90; 90 | 429.1 | Chern, M Y; DiSalvo, F J; Parise, J B; Goldstone, J A The structural distorsion of the anti-perovskite nitride Ca~3~AsN Journal of Solid State Chemistry, 1992, 96, 426-435 |
| 1005009 | CIF | As Ca3 N | P b n m | 6.725; 6.7198; 9.5335 90; 90; 90 | 430.8 | Chern, M Y; DiSalvo, F J; Parise, J B; Goldstone, J A The structural distorsion of the anti-perovskite nitride Ca~3~AsN Journal of Solid State Chemistry, 1992, 96, 426-435 |
| 1005010 | CIF | Nb3 Si Te6 | P n m a | 6.353; 13.938; 11.507 90; 90; 90 | 1018.9 | Li, J; Badding, M E; DiSalvo, F J Synthesis and structure of Nb~3~SiTe~6~, a new layered ternary niobium telluride compound Journal of Alloys Compd., 1992, 184, 257-263 |
| 1005011 | CIF | Li Mo N2 | R 3 :H | 2.8674; 2.8674; 15.801 90; 90; 120 | 112.5 | Elder, S H; Doerrer, L H; DiSalvo, F J; Parise, J B; Guyomard, D; Tarascon, J M LiMoN~2~: the first metallic layered nitride Chemistry of Materials (1,1989-, 1992, 4, 928-937 |
| 1005012 | CIF | Ba6 Co25 S27 | P m -3 m | 10.033; 10.033; 10.033 90; 90; 90 | 1009.9 | Snyder, G J; Badding, M E; DiSalvo, F J Synthesis, structure and properties of Ba~6~Co~25~S~27~: a perovskite- like superstructure of Co~8~S~6~ and Ba~6~S clusters Inorganic Chemistry, 1992, 31, 2107-2110 |
| 1005013 | CIF | Ca3 N3 V | C m c m | 8.544; 10.38; 5.064 90; 90; 90 | 449.1 | Vennos, D A; DiSalvo, F J Synthesis and characterization of a new ternary nitride, Ca~3~VN~3~ Journal of Solid State Chemistry, 1992, 100, 401-401 |
| 1005014 | CIF | N Na3 O3 W | P m n 21 | 7.2481; 6.2728; 5.6493 90; 90; 90 | 256.9 | Elder, S H; DiSalvo, F J; Parise, J B; Hriljac, J A; Richardsen, J W, jr. The synthesis and structural characterization of Na~3~WO~3~N Journal of Solid State Chemistry, 1994, 108, 73-79 |
| 1005015 | CIF | Gd0.957 S | C m c a | 5.454; 5.8098; 21.461 90; 90; 90 | 680 | Rouxel, J; Moelo, Y; Lafond, A; DiSalvo, F J; Meerschaut, A; Roesky, R Role of vacancies in misfit layered compounds: the case of the gadolinium chromium sulfide compound Inorganic Chemistry, 1994, 33, 3358-3363 |
| 1005016 | CIF | Ba Co S2 | C m m a | 6.4413; 6.4926; 8.9406 90; 90; 90 | 373.9 | Snyder, G J; Gelabert, M C; DiSalvo, F J Refined structure and properties of the layered Mott insulator Ba Co S2 Journal of Solid State Chemistry, 1994, 113, 355-361 |
| 1005017 | CIF | Ce3 Pd6 Sb5 | P m m n :2 | 13.481; 4.459; 10.05 90; 90; 90 | 604.1 | Gordon, R A; DiSalvo, F J; Poettgen, R Crystal structure and physical properties of Ce3 Pd6 Sb5 Journal of Alloys Compd., 1995, 228, 16-22 |
| 1005018 | CIF | Al0.67 La3 Mo4.33 O14 | P n m a | 17.75; 5.66; 11.07 90; 90; 90 | 1112.1 | McCarroll, W H; Podejko, K; Cheetham, A K; Thomas, D M; DiSalvo, F J The crystal structure of La3 Mo4.33 Al.67 O14 and the electronic structure of La3 Mo4 X O14 (X=Si, Mo1/3 Al2/3; Al1/2 V1/2) Journal of Solid State Chemistry, 1986, 62, 241-252 |
| 1005019 | CIF | N2 Sr2 Zn | I 4/m m m | 3.8568; 3.8568; 12.935 90; 90; 90 | 192.4 | Yamane, H; DiSalvo, F J Synthesis and crystal structure of Sr2 Zn N2 and Ba2 Zn N2 Journal of Solid State Chemistry, 1995, 119, 375-379 |
| 1005020 | CIF | Ba2 N2 Zn | I 4/m m m | 4.152; 4.152; 13.055 90; 90; 90 | 225.1 | Yamane, H; DiSalvo, F J Synthesis and crystal structure of Sr2 Zn N2 and Ba2 Zn N2 Journal of Solid State Chemistry, 1995, 119, 375-379 |
| 1005021 | CIF | Ba5 N6 Si2 | P 21 21 21 | 6.159; 10.305; 15.292 90; 90; 90 | 970.6 | Yamane, H; DiSalvo, F J Preparation and crystal structure of a new barium silicon nitride, Ba5 Si2 N6 Journal of Alloys Compd., 1996, 240, 33-36 |
| 1005022 | CIF | Ce3 Cl6 N | P b c a | 10.708; 11.233; 16.52699 90; 90; 90 | 1987.9 | Ehrlich, G M; Badding, M E; Brese, N E; Trail, S S; DiSalvo, F J Corrigendum to "New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl" Journal of Alloys Compd., 1996, 235, 133-134 |
| 1005023 | CIF | K2 Ni3 S4 | F d d d :2 | 5.723; 10.04; 26.05899 90; 90; 90 | 1497.3 | Elder, S H; Jobic, S; Brec, R; Gelabert, M; DiSalvo, F J Structural and electronic properties of K2 Ni3 S4, a pseudo-two dimensional compound with a honeycomb-like arrangement Journal of Alloys Compd., 1996, 235, 135-142 |
| 1005024 | CIF | As2 Ce Pd3 | C 1 2/m 1 | 16.67299; 4.1205; 9.998 90; 108.045; 90 | 653.1 | Gordon, R A; DiSalvo, F J; Poettgen, R Physical properties of Ce Pd3 As2 Journal of Alloys Compd., 1996, 236, 86-91 |
| 1005025 | CIF | Ce3 Cl6 N | P b c a | 10.708; 11.233; 16.52699 90; 90; 90 | 1987.9 | Ehrlich, G M; Badding, M E; Brese, N E; Trail, S S; DiSalvo, F J New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl Journal of Alloys Compd., 1994, 206, 95-101 |
| 1005026 | CIF | Ca2 Cl3 Ge La S4 | P 63 m c | 9.7311; 9.7311; 6.3366 90; 90; 120 | 519.6 | Gitzendanner, R L; DiSalvo, F J Synthesis and structure of a new quinary sulfide halide: La Ca2 Ge S4 Cl3 Inorganic Chemistry, 1996, 35, 2623-2626 |
| 1005027 | CIF | Ge2 N2 Sr3 | P 1 21/m 1 | 9.032; 3.883; 9.648 90; 112.42; 90 | 312.8 | Clarke, S J; Kowach, G R; DiSalvo, F J Synthesis and structure of two new strontium germanium nitrides: Sr3 Ge2 N2 and Sr2 Ge N2 Inorganic Chemistry, 1996, 35, 7009-7012 |
| 1005028 | CIF | Ge N2 Sr2 | P 42/m b c | 11.773; 11.773; 5.409 90; 90; 90 | 749.7 | Clarke, S J; Kowach, G R; DiSalvo, F J Synthesis and structure of two new strontium germanium nitrides: Sr3 Ge2 N2 and Sr2 Ge N2 Inorganic Chemistry, 1996, 35, 7009-7012 |
| 1005029 | CIF | Ba Co S2 | P 4/n m m :2 | 4.568; 4.568; 8.942 90; 90; 90 | 186.6 | Gelabert, M C; Brese, N E; DiSalvo, F J; Jobic, S; Deniard, P; Brec, R Polymorphism and superstructure in Ba Co S2-d Journal of Solid State Chemistry, 1996, 127, 211-221 |
| 1005030 | CIF | Ba Co S1.84 | C m m a | 6.439; 6.4909; 8.9379 90; 90; 90 | 373.6 | Gelabert, M C; Brese, N E; DiSalvo, F J; Jobic, S; Deniard, P; Brec, R Polymorphism and superstructure in Ba Co S2-d Journal of Solid State Chemistry, 1996, 127, 211-221 |
| 1005031 | CIF | Ba3 Ge2 N2 | P 1 21/m 1 | 9.6196; 4.0466; 10.1337 90; 113.553; 90 | 361.6 | Yamane, H; DiSalvo, F J A barium germanium nitride, Ba3 Ge2 N2, containing (1-infinite)Ge(2-) and (Ge N2)(4-) anions Journal of Alloys Compd., 1996, 241, 69-74 |
| 1005032 | CIF | Ba3 Ga2 N4 | P n n a | 6.201; 10.511; 10.07 90; 90; 90 | 656.3 | Yamane, H; DiSalvo, F J Ba3 Ga2 N4 Acta Crystallographica C (39,1983-), 1996, 52, 760-761 |
| 1005033 | CIF | Ce8 Pd24 Sb | P m -3 m | 8.461; 8.461; 8.461 90; 90; 90 | 605.7 | Gordon, R A; DiSalvo, F J Crystal structure and magnetic susceptibility of Ce8 Pd24 Sb Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1996, 51, 52-56 |
| 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 |
| 1005035 | CIF | Ba9 N12 Nb2 | P -1 | 7.9979; 9.6273; 12.6441 75.867; 85.69; 87.868 | 941.3 | Clarke, S J; DiSalvo, F J Barium niobium nitride azide: Ba9 (NbN4)2 N (N3) Zeitschrift fuer Kristallographie - New Crystal Structures, 1997, 212, 109-310 |
| 1005036 | CIF | Au0.73 Ce Ge1.27 | P 6/m m m | 4.335; 4.335; 4.226 90; 90; 120 | 68.8 | Jones, C D W; Gordon, R A; DiSalvo, F J; Poettgen, R; Kremer, R K Magnetic Behaviour of Two AlB2-Related Germanides: CePd0.63Ge1.37 and CeAu0.75Ge1.25 Journal of Alloys Compd., 1997, 260, 50-55 |
| 1005037 | CIF | Ce2 Co Si3 | P 6/m m m | 8.104; 8.104; 4.197 90; 90; 120 | 238.7 | Gordon, R A; Warren, C J; Alexander, M G; DiSalvo, F J; Poettgen, R Substitution in Ce2 T Si3 intermetallic compositions with T = (Cr, Mn, Fe, Co, or Ni)x (Pd or Au)1-x Journal of Alloys Compd., 1997, 248, 24-32 |
| 1005038 | CIF | Cu N Sr | P n m a | 9.045; 13.234; 5.388 90; 90; 90 | 645 | DiSalvo, F J; Trail, S S; Yamane, H; Brese, N E The crystal structure of Sr6 Cu3 N5 with isolated, bent (Cu(I)2 N3)(7-) anions and the single crystal structural determination of Sr Cu N Journal of Alloys Compd., 1997, 255, 122-129 |
| 1005039 | CIF | Cu3 N5 Sr6 | P 42 m c | 8.657; 8.657; 7.334 90; 90; 90 | 549.6 | DiSalvo, F J; Trail, S S; Yamane, H; Brese, N E The crystal structure of Sr6 Cu3 N5 with isolated, bent (Cu(I)2 N3)(7-) anions and the single crystal structural determination of Sr Cu N Journal of Alloys Compd., 1997, 255, 122-129 |
| 1005040 | CIF | Ba2 Ga Ge N | P 1 21/m 1 | 7.249; 4.21; 9.314 90; 108.87; 90 | 269 | Clarke, S J; DiSalvo, F J Synthesis and structure of the subnitrides Ba2 Ge Ga N and (Bax Sr1-x)3 Ge2 N2 ; x = 0.7 Journal of Alloys Compd., 1997, 259, 158-162 |
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