Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000056 | CIF | B14 Mg1.93 | I m a m | 5.97; 8.125; 10.48 90; 90; 90 | 508.35 | Guette, A.; Barret, M.; Naslain, R.; Hagenmuller, P.; Tergenius, L.-E.; Lundström, T. Crystal structure of magnesium heptaboride Mg2B14 Journal of the Less Common Metals, 1981, 82, 325-334 |
| 1000057 | CIF | B6 La | P m -3 m | 4.157; 4.157; 4.157 90; 90; 90 | 71.8 | Eliseev, A A; Efremmov, V A; Kuz'micheva, G M; Konovalova, E S; Lazorenko, V I; Paderno, Y B; Khlyustova, S Y X-ray structural investigation of single crystals of lanthanum, cerium, and samarium hexaborides Kristallografiya, 1986, 31, 803-805 |
| 1000058 | CIF | O2 Ru | P 42/m n m | 4.4968; 4.4968; 3.1049 90; 90; 90 | 62.8 | Bolzan A A; Fong C; Kennedy B J; Howard C J Structural studies of rutile-type metal dioxides Acta Crystallographica, Section B, 1997, 53, 373-380 |
| 1000059 | CIF | Al2 O3 | R -3 c :H | 4.7554; 4.7554; 12.991 90; 90; 120 | 254.4 | Wang, X - L; Hubbard, C R; Alexander, K B; Becher, P F Neutron diffraction measurements of the residual stresses in Al2 O3 - Zr O2 (Ce O2) ceramic composites Journal of the American Ceramic Society, 1994, 77, 1569-1575 |
| 1000060 | CIF | Al2 O5 Ti | B b m m | 9.429; 9.636; 3.591 90; 90; 90 | 326.3 | Morosin, B; Lynch, R W Structure studies on Al~2~ Ti O~5~ at room temperature and at 600C Acta Crystallographica B (24,1968-38,1982), 1972, 28, 1040-1046 |
| 1000061 | CIF | Al H3 O3 | P 1 21/a 1 | 5.062; 8.671; 4.713 90; 90.27; 90 | 206.9 | Rothbauer, R; Zigan, F; O'Daniel, H Verfeinerung der Struktur des Bayerits, Al (O H)3 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1967, 125, 317-331 |
| 1000062 | CIF | O2 Sn | P 42/m n m | 4.738; 4.738; 3.1865 90; 90; 90 | 71.5 | Baur, W H; Khan, A A Rutile-Type Compounds. VI. Si O2, Ge O2 and a Comparison with other Rutile-Type Structures Acta Crystallographica B (24,1968-38,1982), 1971, 27, 2133-2139 |
| 1000063 | CIF | Cu2 O | P n -3 m :1 | 4.252; 4.252; 4.252 90; 90; 90 | 76.9 | Neuburger, M C Praezisionsmessung der Gitterkonstante von Cuprooxyd Cu2 O Zeitschrift fuer Physik, 1930, 67, 845-850 |
| 1000064 | CIF | Fe2 O4 Si | P b n m | 4.8195; 10.4788; 6.0873 90; 90; 90 | 307.4 | Fujino, K.; Sasaki, S.; Takeuchi, Y.; Sadanaga, R. X-ray Determination of Electron Distributions in Forsterite, Fayalite and Tephroite Acta Crystallographica B (24,1968-38,1982), 1981, 37, 513-518 |
| 1000065 | CIF | C | R -3 m :H | 2.46; 2.46; 33.45 90; 90; 120 | 175.3 | Nixon, D E; Parry, G S; Ubbelohde, A R Order-disorder transformations in graphite nitrates Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-), 1966, 291, 324-339 |
| 1000066 | CIF | Ba2 Cu2.5 O7 Pd0.5 Y | P m m m | 3.841; 3.883; 11.671 90; 90; 90 | 174.1 | Ferey, G; Le Bail, A; Laligant, Y; Hervieu, M; Raveau, B; Sulpice, A; Tournier, R Ordered Pd^2+^ - Cu^2+^ substitution in 1.2.3. superconductor: The oxide Y Ba~2~ Cu~3-x~ Pd~x~ O~y~ (x=0.5) with Pd^2+^ in square planar coordination. Physica C (Amsterdam) (152,1988-), 1988, 153, 489-490 |
| 1000067 | CIF | Li O6 Sb W | P b c n | 4.6664; 17.4435; 4.9941 90; 90; 90 | 406.5 | Le Bail, A; Duroy, H; Fourquet, J L Ab-initio structure determination of Li Sb W O~6~ by X-ray powder diffraction Materials Research Bulletin, 1988, 23, 447-452 |
| 1000068 | CIF | Li Nb O6 W | P -4 21 m | 4.6819; 4.6819; 9.2757 90; 90; 90 | 203.3 | Fourquet, J L; Le Bail, A; Gillet, P A Li Nb W O~6~: Crystal structure of its two allotropic forms Materials Research Bulletin, 1988, 23, 1163-1170 |
| 1000069 | CIF | Li Nb O6 W | P -4 21 m | 4.6818; 4.6818; 9.2754 90; 90; 90 | 203.3 | Fourquet, J L; Le Bail, A; Gillet, P A Li Nb W O~6~: Crystal structure of its two allotropic forms Materials Research Bulletin, 1988, 23, 1163-1170 |
| 1000070 | CIF | Li Nb O6 W | R 3 c :H | 5.1562; 5.1562; 13.664 90; 90; 120 | 314.6 | Fourquet, J L; Le Bail, A; Gillet, P A Li Nb W O~6~: Crystal structure of its two allotropic forms Materials Research Bulletin, 1988, 23, 1163-1170 |
| 1000071 | CIF | Ba2 O3 Pd | I m m m | 13.335; 4.08; 3.8362 90; 90; 90 | 208.7 | Laligant, Y; Le Bail, A; Ferey, G; Hervieu, M; Raveau, B; Wilkinson, A; Cheetham, A K Synthesis and ab-initio structure determination from X-ray powder data of Ba~2~ Pd O~3~ with sevenfold coordinated Ba^2+^. Structural correlations with K~2~ Ni F~4~ and Ba~2~ Ni F~6~ European Journal of Solid State Inorganic Chemistry, 1988, 25, 237-246 |
| 1000072 | CIF | H5 O7 P V | P -1 | 5.659; 7.578; 12.623 89.66; 102.14; 92.23 | 528.8 | Le Bail, A; Ferey, G; Amoros, P; Beltran Porter, D; Villeneuve, G Crystal Structure of $+beta-V O (H P O~4~) (H~2~ O)2 Solved from X-Ray Powder Diffraction Journal of Solid State Chemistry, 1989, 79, 169-176 |
| 1000073 | CIF | F7 Li3 Th | C c c a :2 | 8.7885; 8.7685; 12.958 90; 90; 90 | 998.6 | Laligant, Y; Le Bail, A; Avignant, D; Cousseins, J C; Ferey, G Crystal Structure of Li~3~ Th F~7~ solved by X-Ray and Neutron Diffraction Journal of Solid State Chemistry, 1989, 80, 206-212 |
| 1000074 | CIF | F7 Li3 Th | C c c a :2 | 8.759; 8.728; 12.8956 90; 90; 90 | 985.8 | Laligant, Y; Le Bail, A; Avignant, D; Cousseins, J C; Ferey, G Crystal Structure of Li~3~ Th F~7~ solved by X-Ray and Neutron Diffraction Journal of Solid State Chemistry, 1989, 80, 206-212 |
| 1000075 | CIF | Bi Li O4 Pd2 | P 4/n m m :2 | 6.9109; 6.9109; 4.3557 90; 90; 90 | 208 | Laligant, Y; Le Bail, A; Ferey, G Complex Palladium Oxides. V. Crystal Structure of Li Bi Pd~2~ O~4~: An Example of Three Different Fourfold Coordinations of Cations Journal of Solid State Chemistry, 1989, 81, 58-64 |
| 1000076 | CIF | Al5 F26 Na3 Sr4 | P 42/n :2 | 10.2679; 10.2679; 18.373 90; 90; 90 | 1937.1 | Hemon, A; Le Bail, A; Courbion, G Crystal Structure of Na~3~ Sr~4~ Al~5~ F~26~ Journal of Solid State Chemistry, 1989, 81, 299-304 |
| 1000077 | CIF | Cr F3 H0.0999 N0.0333 | C m c m | 7.276; 12.48; 7.364 90; 90; 90 | 668.7 | de Pape, R; Le Bail, A; Lubin, F; Ferey, G Les varietes "bronze de tungstene hexagonal" des trifluorures CrF~3~ et VF~3~ Revue de Chimie Minerale, 1987, 24, 545-551 |
| 1000078 | CIF | F3 H0.0801 N0.0267 V | C m c m | 7.425; 12.835; 7.563 90; 90; 90 | 720.8 | de Pape, R; Le Bail, A; Lubin, F; Ferey, G Les varietes "bronze de tungstene hexagonal" des trifluorures CrF~3~ et VF~3~ Revue de Chimie Minerale, 1987, 24, 545-551 |
| 1000079 | CIF | H K O6 P V | P b c a | 6.755; 9.1026; 17.0808 90; 90; 90 | 1050.3 | Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction European Journal of Solid State Inorganic Chemistry, 1988, 25, 599-607 |
| 1000080 | CIF | H5 N O6 P V | P b c a | 6.8064; 9.2567; 17.732 90; 90; 90 | 1117.2 | Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction European Journal of Solid State Inorganic Chemistry, 1988, 25, 599-607 |
| 1000081 | CIF | H O6 P Rb V | P b c a | 6.8182; 9.291; 17.631 90; 90; 90 | 1116.9 | Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction European Journal of Solid State Inorganic Chemistry, 1988, 25, 599-607 |
| 1000082 | CIF | Al6 F21 Na Rb2 | C 1 2 1 | 12.075; 6.972; 10.214 90; 113.2; 90 | 790.4 | Le Bail, A; Gao, Y; Jacoboni, C Crystal structure of Rb~2~NaAl~6~F~21~; a new term of the A~2~Na(Al~x~F~3x+1~)~3~ family (A= Rb, Cs) European Journal of Solid State Inorganic Chemistry, 1989, 26, 281-288 |
| 1000083 | CIF | H5 O7 P V | P 1 21/c 1 | 7.613; 7.431; 9.482 90; 95.44; 90 | 534 | Le Bail, A.; Ferey, G.; Amoros, P.; Beltran-Portier, D. Structure of vanadyl hydrogenphosphate dihydrate α-VO(HPO~4~) 2H~2~O solved from X-ray and neutron powder diffraction European Journal of Solid State and Inorganic Chemistry, 1989, 26, 419-426 |
| 1000084 | CIF | H5 O7 P V | P 1 21/c 1 | 7.61; 7.42; 9.47 90; 95.4; 90 | 532.4 | Le Bail, A.; Ferey, G.; Amoros, P.; Beltran-Portier, D. Structure of vanadyl hydrogenphosphate dihydrate α-VO(HPO~4~) 2H~2~O solved from X-ray and neutron powder diffraction European Journal of Solid State and Inorganic Chemistry, 1989, 26, 419-426 |
| 1000085 | CIF | Cr5 F17 Rb2 | C m c m | 7.418; 25.67; 14.624 90; 90; 90 | 2784.7 | Laligant, Y; Le Bail, A; Ferey, G Crystal structure determination of Rb~2~Cr~5~F~17~ European Journal of Solid State Inorganic Chemistry, 1989, 26, 445-454 |
| 1000086 | CIF | Al2 F3.24 H4.76 O3.76 | F d -3 m :2 | 9.8614; 9.8614; 9.8614 90; 90; 90 | 959 | Fourquet, J L; Riviere, M; Le Bail, A; Nygrens, M; Grins, J Crystal structure and protonic conductivity of pyrochlore phases Al~2~((O H)~1-x~ F~x~)~6~ . H~2~O and Al~2~((O H)~1-x~F~x~)~6~ (x=0.5) European Journal of Solid State Inorganic Chemistry, 1988, 25, 535-540 |
| 1000087 | CIF | Al2 F3 H3 O3 | F d -3 m :2 | 9.749; 9.749; 9.749 90; 90; 90 | 926.6 | Fourquet, J L; Riviere, M; Le Bail, A; Nygrens, M; Grins, J Crystal structure and protonic conductivity of pyrochlore phases Al~2~((O H)~1-x~ F~x~)~6~ . H~2~O and Al~2~((O H)~1-x~F~x~)~6~ (x=0.5) European Journal of Solid State Inorganic Chemistry, 1988, 25, 535-540 |
| 1000088 | CIF | F6 Li2 Tb | P 1 21/c 1 | 7.585; 4.965; 11.116 90; 106.96; 90 | 400.4 | Laligant, Y; Le Bail, A; Ferey, G; Avignant, D; Cousseins, J C Determination of the crystal structure of Li~2~ Tb F~6~ from X-ray and neutron powder diffraction. An example of lithium in five-fold coordination. European Journal of Solid State Inorganic Chemistry, 1988, 25, 551-563 |
| 1000089 | CIF | F6 Li2 Tb | P 1 21/c 1 | 7.56; 4.934; 11.066 90; 107.02; 90 | 394.7 | Laligant, Y; Le Bail, A; Ferey, G; Avignant, D; Cousseins, J C Determination of the crystal structure of Li~2~ Tb F~6~ from X-ray and neutron powder diffraction. An example of lithium in five-fold coordination. European Journal of Solid State Inorganic Chemistry, 1988, 25, 551-563 |
| 1000090 | CIF | F5 Fe K2 | P b c n | 7.4059; 12.8771; 20.4282 90; 90; 90 | 1948.2 | Le Bail, A; Desert, A; Fourquet, J L Reinvestigation of the structure of K~2~FeF~5~ Journal of Solid State Chemistry, 1990, 84, 408-412 |
| 1000091 | CIF | Ca2.028 F7 Lu0.972 | I 4/m | 8.6633; 8.6633; 16.5252 90; 90; 90 | 1240.3 | Laval, J P; Abaouz, A; Frit, B; Le Bail, A Short-range order in the anion-excess fluorite-related Ca~0.68~Ln~0.32~F~2.32~ solid solutions: EXAFS study of the Ln^3+^ environment Journal of Solid State Chemistry, 1990, 85, 133-143 |
| 1000092 | CIF | Cr10 F31 K5 | C 1 2/m 1 | 21.576; 7.6081; 32.865 90; 109.24; 90 | 5093.5 | Laligant, Y; Le Bail, A; Leblanc, M; Ferey, G A new structure type in mixed valence fluorinated compounds: K~5~Cr~4~^2+^Cr~6~^3+^F~31~ Journal of Solid State Chemistry, 1990, 85, 151-158 |
| 1000093 | CIF | F1.6 O0.7 Sm | P m m n :2 | 3.9041; 4.0397; 5.6473 90; 90; 90 | 89.1 | Laval, J P; Abaouz, A; Frit, B; Le Bail, A Defect structure of the orthorhombic anion-excess fluorite related SmF~1.60~O~0.70~ European Journal of Solid State Inorganic Chemistry, 1990, 27, 545-555 |
| 1000094 | CIF | Ni O6 V2 | P -1 | 7.13; 4.791; 8.825 90.16; 102.13; 94.19 | 293.9 | Le Bail, A; Lafontaine, M A Structure determination of NiV~2~O~6~ from X-ray powder diffraction : a rutile-ramsdellite intergrowth European Journal of Solid State Inorganic Chemistry, 1990, 27, 671-680 |
| 1000095 | CIF | H Na2.57 O18 P4 V4 | P n m a | 13.723; 6.314; 16.139 90; 90; 90 | 1398.4 | Le Bail, A; Leblanc, M; Amoros, P Synthesis and crystal structure of Na~1+x~V~4~P~4~O~17~(OH) (x=1.44) Journal of Solid State Chemistry, 1990, 87, 178-185 |
| 1000096 | CIF | Cl5.5 Cr H32 N6.5 Ni O6 | F d -3 :2 | 20.44; 20.44; 20.44 90; 90; 90 | 8539.7 | Moron, M C; Le Bail, A; Pons, J The crystal and molecular structures of twinned (Cr(NH~3~)~6~)(Ni(H~2~O)~6~)Cl~5~ . 1/2(NH~4~Cl): a new complex bimetallic compound Journal of Solid State Chemistry, 1990, 88, 498-504 |
| 1000097 | CIF | Cd F3 H4 N | P n m a | 6.1791; 8.8786; 6.1655 90; 90; 90 | 338.3 | Le Bail, A.; Fourquet, J. L.; Rubin, J.; Palacios, E.; Bartolome, J. NH~4~CdF~3~: Structure of the low temperature phase Physica B: Condensed Matter, 1990, 162, 231-236 |
| 1000098 | CIF | Al F6 Na Sr | P n a 21 | 18.303; 5.3122; 9.42 90; 90; 90 | 915.9 | Hemon, A; Le Bail, A; Courbion, G Synthesis and crystal structure of NaSrAlF~6~ European Journal of Solid State Inorganic Chemistry, 1990, 27, 905-912 |
| 1000099 | CIF | Cl Co H4 O3 P | P b c a | 7.416; 13.082; 9.483 90; 90; 90 | 920 | Marcos, M D; Ibanez, R; Amoros, P; Le Bail, A Layer structure of (CoCl(H~2~PO~2~)) . H~2~O Acta Crystallographica C (39,1983-), 1991, 47, 1152-1155 |
| 1000100 | CIF | F12 Fe2 H6 Mn O3 Pb2 | P -6 2 m | 9.32; 9.32; 3.9618 90; 90; 120 | 298 | Le Bail, A; Mercier, A M Structure of Pb~2~MnFe~2~F~12~(H~2~O)~2~ Acta Crystallographica C (39,1983-), 1992, 48, 239-241 |
| 1000101 | CIF | Co3 H4 O10 P2 | P 1 21/n 1 | 7.531; 7.516; 7.7 90; 121.91; 90 | 370 | Pizarro, J L; Villeneuve, G; Hagenmuller, P; Le Bail, A Synthesis, crystal structure, and magnetic properties of Co~3~(HPO~4~)~2~(OH)~2~ related to the mineral lazulite Journal of Solid State Chemistry, 1991, 92, 273-285 |
| 1000102 | CIF | Co3 H4 O10 P2 | P 1 21/n 1 | 7.5024; 7.4896; 7.6716 90; 121.864; 90 | 366.1 | Pizarro, J L; Villeneuve, G; Hagenmuller, P; Le Bail, A Synthesis, crystal structure, and magnetic properties of Co~3~(HPO~4~)~2~(OH)~2~ related to the mineral lazulite Journal of Solid State Chemistry, 1991, 92, 273-285 |
| 1000103 | CIF | Al2 Ca F9 K | C 2 2 21 | 12.343; 7.152; 22.679 90; 90; 90 | 2002 | Hemon, A; Le Bail, A; Courbion, G Crystal structure approach of KCaAl~2~F~9~. A new hexagonaltungsten- bronze related structure European Journal of Solid State Inorganic Chemistry, 1993, 30, 415-426 |
| 1000104 | CIF | Al Ba3 F9 | P n c 2 | 7.5318; 14.8674; 14.5732 90; 90; 90 | 1631.9 | Le Bail, A $-beta-Ba~3~AlF~9~, a complex structure determined from conventional X- ray powder diffraction Journal of Solid State Chemistry, 1993, 103, 287-291 |
| 1000105 | CIF | F24 Fe2 Mn Pb8 | P 1 21/a 1 | 20.181; 5.625; 9.438 90; 105; 90 | 1034.9 | Le Bail, A; Mercier, A M Crystal structure of Pb~8~MnFe~2~F~24~ European Journal of Solid State Inorganic Chemistry, 1992, 29, 183-190 |
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