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AlF3 |
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LeBail A, Jacoboni C, LeBlanc M, de Pape R, Duroy H, Fourquet J |
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Journal of Solid State Chemistry 77 (1988) 96-101 |
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Crystal structure of the metastable form of aluminium trifluoride |
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beta-AlF3 and the gallium and indium homologs |
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_cod_database_code 1000238 |
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_database_code_amcsd 0013625 |
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6.931 12.002 7.134 90 90 90 Cmcm |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1 0 .5 0 .0055 .0042 .0043 0 0 -.0002 |
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Al2 .25 .25 0 .0040 .0057 .004 .0008 -.0005 -.0003 |
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F1 0 .2125 .5257 .0040 .0107 .0112 0 0 .0010 |
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F2 .3161 .1054 .9800 .0083 .0061 .0141 .0023 -.0012 -.0004 |
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F3 0 .5177 .25 .0155 .0128 .0049 0 0 0 |
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F4 .2297 .2352 .25 .0133 .0141 .0040 -.0002 0 0 |
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F3 Ga H0.07 O0.07 |
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LeBail A, Jacoboni C, LeBlanc M, de Pape R, Duroy H, Fourquet J |
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Journal of Solid State Chemistry 77 (1988) 96-101 |
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Crystal structure of the metastable form of aluminium trifluoride |
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beta-Al F3 and the gallium and indium homologs |
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_cod_database_code 1000475 |
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_database_code_amcsd 0013626 |
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7.210 12.398 7.333 90 90 90 Cmcm |
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atom x y z occ |
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Ga1 0 .5 0 |
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Ga2 .25 .25 0 |
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F1 0 .210 .539 |
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F2 .320 .1067 .961 |
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F3 0 .533 .25 |
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F4 .216 .222 .25 |
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O1 0 .06 .25 .22 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Volborthite |
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Lafontaine M A, LeBail A, Ferey G |
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Journal of Solid State Chemistry 85 (1990) 220-227 |
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Copper-containing minerals - I. Cu3V2O7(OH)2,2H2O: The synthetic homolog |
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of volborthite; crystal structure determination from X-ray and neutron data; |
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structural correlations |
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Note: neutron data on a synthetic sample |
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_database_code_amcsd 0013677 |
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10.607 5.864 7.214 90 94.88 90 C2/m |
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atom x y z Biso |
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Cu1 0 0 0 1.02 |
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Cu2 .25 .25 0 1.02 |
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V .9959 .5 .2516 .55 |
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O1 0 .5 .5 1.5 |
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O2 .3428 .5 .1095 1.5 |
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O3 .0756 .2635 .1864 1.5 |
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O4 .1622 .5 .8381 1.5 |
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Ow .3223 .5 .4894 1.5 |
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H1 .3501 .5 .2376 5.7 |
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H2 .3536 .3714 .5639 5.7 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Volborthite |
|
Lafontaine M A, LeBail A, Ferey G |
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Journal of Solid State Chemistry 85 (1990) 220-227 |
|
Copper-containing minerals - I. Cu3V2O7(OH)2,2H2O: The synthetic homolog |
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of volborthite; crystal structure determination from X-ray and neutron data; |
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structural correlations |
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Note: X-ray data on a synthetic sample |
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_database_code_amcsd 0013678 |
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10.606 5.874 7.213 90 94.90 90 C2/m |
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atom x y z Biso |
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Cu1 0 0 0 .69 |
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Cu2 .25 .25 0 1.81 |
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V .9959 .5 .2516 .55 |
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O1 0 .5 .5 4.27 |
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O2 .3424 .5 .1143 1.55 |
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O3 .0682 .2721 .1846 1.82 |
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O4 .1548 .5 .8464 2.02 |
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Ow .3261 .5 .4788 4.71 |
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H .3501 .5 .2376 5.7 |
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H .3536 .3714 .5639 5.7 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Bi2Sr2CaCu2O8 |
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Hervieu M, Michel C, Domenges B, Laligant Y, Lebail A, Ferey G, Raveau B |
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Modern Physics Letters B2 (1988) 491-500 |
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Electron microscopy study of the superconductor "Bi2Sr2CaCu2O8" |
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_cod_database_code 1000285 |
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_database_code_amcsd 0014652 |
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5.4054 5.4016 30.7152 90 90 90 Amaa |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Bi1 .052 .2745 .0524 .5 .054 .008 .033 0 0 0 |
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Sr1 0 .75 .3597 .095 .01 .068 0 0 0 |
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Cu1 .5 .75 .3033 0 0 .096 0 0 0 |
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Ca1 .5 .25 .25 .099 .03 .158 0 0 0 |
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O1 .75 0 .201 |
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O2 .25 .5 .201 |
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O3 0 .25 .385 |
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O4 .5 .27 .0524 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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