Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000106 | CIF | Al Cs F4 | I -4 c 2 | 11.8101; 11.8101; 13.3741 90; 90; 90 | 1865.4 | Bentrup, U; Le Bail, A; Duroy, H; Fourquet, J L Polymorphism of CsAlF~4~.Synthesis and structure of two new crystalline forms European Journal of Solid State Inorganic Chemistry, 1992, 29, 371-381 |
| 1000107 | CIF | Al Cs F4 | P n m a | 10.5576; 6.75; 17.5954 90; 90; 90 | 1253.9 | Bentrup, U; Le Bail, A; Duroy, H; Fourquet, J L Polymorphism of CsAlF~4~.Synthesis and structure of two new crystalline forms European Journal of Solid State Inorganic Chemistry, 1992, 29, 371-381 |
| 1000108 | CIF | Ba F10 H4 O2 Zr2 | P n a m | 7.8974; 7.9076; 14.7227 90; 90; 90 | 919.4 | Gao, Y; Guery, J; Le Bail, A; Jacoboni, C Synthesis,X-ray single-crystal structure determination and dehydration study of BaZr~2~F~10~ . 2H~2~O by X-ray powder thermodiffractometry Journal of Solid State Chemistry, 1992, 98, 11-24 |
| 1000109 | CIF | Al2 F9 H5 K2 O2 | P b a m | 11.5418; 11.3437; 3.6733 90; 90; 90 | 480.9 | Le Bail, A; Duroy, H; Fourquet, J L Crystal structure and thermolysis of K~2~(H~5~O~2~)Al~2~F~9~ Journal of Solid State Chemistry, 1992, 98, 151-158 |
| 1000110 | CIF | Al F3 | P 4/n m m :2 | 10.1843; 10.1843; 7.1738 90; 90; 90 | 744.1 | Le Bail, A; Fourquet, J L; Bentrup, U t-AlF~3~: crystal structure determination from X-ray powder diffraction data. A new MX~3~ corner-sharing octahedra 3D network Journal of Solid State Chemistry, 1992, 100, 151-159 |
| 1000111 | CIF | Bi2 Li8 O10 Pd | C 1 2/m 1 | 9.7308; 4.2042; 11.0656 90; 105.781; 90 | 435.6 | Laligant, Y; Le Bail, A Synthesis and crystal structure of Li~8~Bi~2~PdO~10~ from X-ray powder diffraction data European Journal of Solid State Inorganic Chemistry, 1993, 30, 689-698 |
| 1000112 | CIF | H0.572 O2 Ti0.858 | P n m a | 9.7689; 2.9212; 4.6745 90; 90; 90 | 133.4 | Le Bail, A; Fourquet, J L Crystal structure and thermal behaviour of H~2~Ti~3~O~7~: a new defective ramsdellite form from Li^+^/H^+^ exchange on Li~2~Ti~3~O~7~ Materials Research Bulletin, 1992, 27, 75-85 |
| 1000113 | CIF | H5 N O6 P V | P b 21 a | 6.83; 9.233; 8.817 90; 90; 90 | 556 | Amoros, P; Le Bail, A Synthesis and crystal structure of $-alpha-NH~4~(VO~2~)(HPO~4~) Journal of Solid State Chemistry, 1992, 97, 283-291 |
| 1000114 | CIF | Al6 Ba7.092 Cl2 F33 K2.908 | P -3 m 1 | 18.863; 18.863; 7.636 90; 90; 120 | 2353 | Le Bail, A; Hemon-Ribaud, A; Courbion, G Synthesis and structure approach of K~3~Ba~7~Al~6~F~33~Cl~2~ Journal of Solid State Chemistry, 1993, 107, 234-244 |
| 1000115 | CIF | H14 O30 P8 Zn11 | P 63 m c | 12.872; 12.872; 4.9772 90; 90; 120 | 714.2 | Marcos, M D; Amoros, P; Le Bail, A Synthesis and crystal structure of a tubular hydroxyphosphite: Zn~11~(HPO~3~)~8~(OH)~6~ Journal of Solid State Chemistry, 1993, 107, 250-257 |
| 1000116 | CIF | O5 Tl0.5 V2 | C 1 2/m 1 | 11.609; 3.6877; 9.629 90; 100.9; 90 | 404.8 | Ganne, M; Jouanneaux, A; Tournoux, M; Le Bail, A Structure and phase transitions of low-dimensional thallium vanadium bronze Tl~x~V~2~O~5~ (0.44<=x<=0.48) Journal of Solid State Chemistry, 1992, 97, 186-198 |
| 1000117 | CIF | Cu2 Li3 O4 | C 1 2/m 1 | 9.946; 2.778; 7.26 90; 119.1; 90 | 175.3 | Berger, R; Oennerud, P; Laligant, Y; Le Bail, A The structure of Li3 Cu2 O4, a compound with formal mixed valence Journal of Alloys Compd., 1993, 190, 295-299 |
| 1000118 | CIF | H6 O6 P2 V | C 1 2/c 1 | 12.046; 8.147; 7.548 90; 121.83; 90 | 629.4 | Le Bail, A; Marcos, M D; Amoros, P Ab initio crystal structure determination of V O (H2 P O2) .(H2 O) from X-ray and neutron powder diffraction data. A monodimensional vanadium(IV) hypophosphite Inorganic Chemistry, 1994, 33, 2607-2613 |
| 1000119 | CIF | H6 O6 P2 V | C 1 2/c 1 | 12.179; 8.096; 7.638 90; 122.75; 90 | 633.4 | Le Bail, A; Marcos, M D; Amoros, P Ab initio crystal structure determination of V O (H2 P O2) .(H2 O) from X-ray and neutron powder diffraction data. A monodimensional vanadium(IV) hypophosphite Inorganic Chemistry, 1994, 33, 2607-2613 |
| 1000120 | CIF | H6 O6 P2 V | C 1 2/c 1 | 12.195; 8.111; 7.651 90; 122.69; 90 | 636.9 | Le Bail, A; Marcos, M D; Amoros, P Ab initio crystal structure determination of V O (H2 P O2) .(H2 O) from X-ray and neutron powder diffraction data. A monodimensional vanadium(IV) hypophosphite Inorganic Chemistry, 1994, 33, 2607-2613 |
| 1000121 | CIF | H6 O6 P2 V | C 1 2/c 1 | 12.262; 8.069; 7.702 90; 123.34; 90 | 636.6 | Le Bail, A; Marcos, M D; Amoros, P Ab initio crystal structure determination of V O (H2 P O2) .(H2 O) from X-ray and neutron powder diffraction data. A monodimensional vanadium(IV) hypophosphite Inorganic Chemistry, 1994, 33, 2607-2613 |
| 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 |
| 1000125 | CIF | Al F4 K | P 4/m b m | 5.0424; 5.0424; 6.1564 90; 90; 90 | 156.5 | Gibaud, A; Le Bail, A; Bulou, A A re-investigation of the room-temperature phase of K Al F4: evidence of antiphase domains Journal of Physics C, 1986, 19, 4623-4633 |
| 1000126 | CIF | Al F4 K | P 4/m b m | 5.0431; 5.0431; 6.1567 90; 90; 90 | 156.6 | Gibaud, A; Le Bail, A; Bulou, A A re-investigation of the room-temperature phase of K Al F4: evidence of antiphase domains Journal of Physics C, 1986, 19, 4623-4633 |
| 1000127 | CIF | Al F4 K | P 4/m b m | 5.0432; 5.0432; 6.1573 90; 90; 90 | 156.6 | Gibaud, A; Le Bail, A; Bulou, A A re-investigation of the room-temperature phase of K Al F4: evidence of antiphase domains Journal of Physics C, 1986, 19, 4623-4633 |
| 1000128 | CIF | Cr2 H12 N4 O7 Pd | P 1 21/c 1 | 7.771; 11.578; 11.852 90; 105.5; 90 | 1027.6 | Laligant, Y; Le Bail, A Structure of (Pd (N H3)4) Cr2 O7 Powder Diffraction, 1995, 10, 159-164 |
| 1000129 | CIF | Al Ba F5 | P 21 21 21 | 13.7168; 5.6054; 4.9329 90; 90; 90 | 379.3 | Le Bail, A.; Ferey, G.; Mercier, A.-M.; de Kozak, A.; Samouel, M. Structure determination of β- and γ-BaAlF~5~ by X-ray and neutron powder diffraction: a model for the α→ β ←→ γ transitions Journal of Solid State Chemistry, 1990, 89, 282-291 |
| 1000130 | CIF | Al Ba F5 | P 1 21/n 1 | 5.1517; 19.56659; 7.5567 90; 92.426; 90 | 761 | Le Bail, A.; Ferey, G.; Mercier, A.-M.; de Kozak, A.; Samouel, M. Structure determination of β- and γ-BaAlF~5~ by X-ray and neutron powder diffraction: a model for the α→ β ←→ γ transitions Journal of Solid State Chemistry, 1990, 89, 282-291 |
| 1000131 | CIF | Al Ba F5 | P 1 21 1 | 5.2584; 9.7298; 7.3701 90; 90.875; 90 | 377 | Le Bail, A.; Ferey, G.; Mercier, A.-M.; de Kozak, A.; Samouel, M. Structure determination of β- and γ-BaAlF~5~ by X-ray and neutron powder diffraction: a model for the α→ β ←→ γ transitions Journal of Solid State Chemistry, 1990, 89, 282-291 |
| 1000132 | CIF | Ba F6 H0.075 O0.0375 Zr | C 1 2/c 1 | 13.193; 7.499; 19.83899 90; 91.69; 90 | 1961.9 | Le Bail, A.; Mercier, A. M. Synthesis and crystal structure of γ-BaZrF~6~ Journal of Solid State Chemistry, 1992, 101, 229-236 |
| 1000133 | CIF | H4 N2 O8 Pd | P b c a | 5.0036; 10.6073; 11.7223 90; 90; 90 | 622.2 | Laligant, Y; Ferey, G; Le Bail, A Crystal structure of Pd (N O3)2 (H2 O)2 Materials Research Bulletin, 1991, 26, 269-275 |
| 1000134 | CIF | Ba Hg O5 Ru | P 63/m | 10.176; 10.176; 8.4121 90; 90; 120 | 754.4 | Hansen, T; Le Bail, A; Laligant, Y Synthesis and structure approach of barium-oxomercurato(II)- oxoruthenate(VI) Ba Hg Ru O5 Journal of Solid State Chemistry, 1995, 120, 223-230 |
| 1000135 | CIF | F22 Sr5 Zr3 | P 21 21 2 | 7.655; 10.313; 10.255 90; 90; 90 | 809.6 | Le Bail, A Structure of Sr5 Zr3 F22 determined from an inversion twinned crystal European Journal of Solid State Inorganic Chemistry, 1996, 33, 1211-1222 |
| 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 |
| 1000137 | CIF | Cu3 H6 O11 V2 | C 1 2/m 1 | 10.606; 5.874; 7.213 90; 94.9; 90 | 447.7 | Lafontaine, M A; Le Bail, A; Ferey, G Copper-containing minerals-I.Cu3 V2 O7 (O H)2 . 2(H2 O): the synthetic homolog of volborthite; crystal structure determination from X-ray and neutron data; structural correlations Journal of Solid State Chemistry, 1990, 85, 220-227 |
| 1000138 | CIF | Cu3 H6 O11 V2 | C 1 2/m 1 | 10.607; 5.864; 7.214 90; 94.88; 90 | 447.1 | Lafontaine, M A; Le Bail, A; Ferey, G Copper-containing minerals-I.Cu3 V2 O7 (O H)2 . 2(H2 O): the synthetic homolog of volborthite; crystal structure determination from X-ray and neutron data; structural correlations Journal of Solid State Chemistry, 1990, 85, 220-227 |
| 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 |
| 1000141 | CIF | Li O3 Sb | P n c n | 4.9005; 8.4892; 5.1816 90; 90; 90 | 215.6 | Fourquet, J L; Gillet, P A; Le Bail, A Li+ / H+ topotactic exchange on Li Sb O3: The series Li(1-x) Hx Sb O3 (0<=x<=1). Materials Research Bulletin, 1989, 24, 1207-1214 |
| 1000142 | CIF | H0.6 Li0.4 O3 Sb | P n c n | 4.726; 8.659; 5.2306 90; 90; 90 | 214 | Fourquet, J L; Gillet, P A; Le Bail, A Li+ / H+ topotactic exchange on Li Sb O3: The series Li(1-x) Hx Sb O3 (0<=x<=1). Materials Research Bulletin, 1989, 24, 1207-1214 |
| 1000143 | CIF | H0.67 Li0.33 O3 Sb | P 1 21/n 1 | 5.2526; 4.7331; 8.6322 90; 90.8; 90 | 214.6 | Fourquet, J L; Gillet, P A; Le Bail, A Li+ / H+ topotactic exchange on Li Sb O3: The series Li(1-x) Hx Sb O3 (0<=x<=1). Materials Research Bulletin, 1989, 24, 1207-1214 |
| 1000144 | CIF | F9 Fe2 Na Pb | C 1 2/c 1 | 7.308; 12.559; 7.64 90; 93.06; 90 | 700.2 | Le Bail, A Structure determination of Na Pb Fe2 F9 by x-ray powder diffraction Journal of Solid State Chemistry, 1989, 83, 267-271 |
| 1000145 | CIF | H2 Na5 O15 P3 V2 | C 1 m 1 | 6.3089; 20.10379; 5.1172 90; 91.134; 90 | 648.9 | Le Bail, A On the structure of Na5 V2 P3 O14 . (H2 O) Journal of Solid State Chemistry, 1993, 102, 281-282 |
| 1000146 | CIF | Al3 F12 Na Rb2 | P 1 21/m 1 | 12.046; 6.984; 7.093 90; 125.04; 90 | 488.6 | Le Bail, A.; Gao, Y.; Fourquet, J. L.; Jacoboni, C. J. Structure determination of A2 Na Al3 F12 (A= K, Rb) Materials Research Bulletin, 1990, 25, 831-839 |
| 1000147 | CIF | Al3 F12 K2 Na | P 1 21/m 1 | 11.882; 6.983; 6.942 90; 125.59; 90 | 670.8 | Le Bail, A.; Gao, Y.; Fourquet, J. L.; Jacoboni, C. J. Structure determination of A2 Na Al3 F12 (A= K, Rb) Materials Research Bulletin, 1990, 25, 831-839 |
| 1000148 | CIF | Li6 O18 P6 | P 1 21/n 1 | 7.9911; 17.03189; 5.3208 90; 99.433; 90 | 714.4 | Ben-Chaabane, T.; Smiri-Dogguy, L.; Laligant, Y.; Le Bail, A. Li~6~P~6~O~18~: X-ray powder structure determination of lithium cyclohexaphosphate European Journal of Solid State and Inorganic Chemistry, 1998, 35, 255-264 |
| 1000149 | CIF | Al Ca F6 Na | P 1 21/c 1 | 8.7423; 5.1927; 20.35139 90; 91.499; 90 | 923.6 | Le Bail, A.; Hemon-Ribaud, A.; Courbion, G. Structure of α-NaCaAlF~6~ determined ab initio from conventional powder diffraction data European Journal of Solid State and Inorganic Chemistry, 1998, 35, 265-272 |
| 1000150 | CIF | Ba2 F8 Zr | P n m a | 9.7401; 5.6147; 11.8871 90; 90; 90 | 650.1 | Le Bail, A.; Laval, J.-P. Synthesis and crystal structure of α-Ba~2~ZrF~8~ and Pb~2~ZrF~8~ determined ab initio from synchrotron and neutron powder diffraction data European Journal of Solid State and Inorganic Chemistry, 1998, 35, 357-372 |
| 1000151 | CIF | Ba2 F8 Zr | P n m a | 9.7426; 5.6157; 11.8877 90; 90; 90 | 650.4 | Le Bail, A.; Laval, J.-P. Synthesis and crystal structure of α-Ba~2~ZrF~8~ and Pb~2~ZrF~8~ determined ab initio from synchrotron and neutron powder diffraction data European Journal of Solid State and Inorganic Chemistry, 1998, 35, 357-372 |
| 1000152 | CIF | Ba2 F8 Zr | P n m a | 9.7401; 5.6167; 11.8839 90; 90; 90 | 650.1 | Le Bail, A.; Laval, J.-P. Synthesis and crystal structure of α-Ba~2~ZrF~8~ and Pb~2~ZrF~8~ determined ab initio from synchrotron and neutron powder diffraction data European Journal of Solid State and Inorganic Chemistry, 1998, 35, 357-372 |
| 1000153 | CIF | Ba2 F8 Zr | P n m a | 9.7472; 5.6173; 11.8995 90; 90; 90 | 651.5 | Le Bail, A.; Laval, J.-P. Synthesis and crystal structure of α-Ba~2~ZrF~8~ and Pb~2~ZrF~8~ determined ab initio from synchrotron and neutron powder diffraction data European Journal of Solid State and Inorganic Chemistry, 1998, 35, 357-372 |
| 1000154 | CIF | F8 Pb2 Zr | P n m a | 10.08; 5.3262; 11.6637 90; 90; 90 | 626.2 | Le Bail, A.; Laval, J.-P. Synthesis and crystal structure of α-Ba~2~ZrF~8~ and Pb~2~ZrF~8~ determined ab initio from synchrotron and neutron powder diffraction data European Journal of Solid State and Inorganic Chemistry, 1998, 35, 357-372 |
| 1000155 | CIF | D7 La Ni5 | P 63 m c | 5.409; 5.409; 8.6 90; 90; 120 | 217.9 | Lartigue, C; Le Bail, A; Percheron Guegan, A A new study of the structure of La Ni5 D6.7 using a modified Rietveld method for the refinement of neutron powder diffraction data Journal of the Less-Common Metals, 1987, 129, 65-76 |
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