American Mineralogist Crystal Structure Database

1 matching records for this search.

AlF3
 
LeBail A, Jacoboni C, LeBlanc M, de Pape R, Duroy H, Fourquet J
Journal of Solid State Chemistry 77 (1988) 96-101
Crystal structure of the metastable form of aluminium trifluoride
beta-AlF3 and the gallium and indium homologs
_cod_database_code 1000238
_database_code_amcsd 0013625
6.931 12.002 7.134 90 90 90 Cmcm
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al1      0    .5     0  .0055  .0042  .0043      0      0 -.0002
Al2    .25   .25     0  .0040  .0057   .004  .0008 -.0005 -.0003
F1       0 .2125 .5257  .0040  .0107  .0112      0      0  .0010
F2   .3161 .1054 .9800  .0083  .0061  .0141  .0023 -.0012 -.0004
F3       0 .5177   .25  .0155  .0128  .0049      0      0      0
F4   .2297 .2352   .25  .0133  .0141  .0040 -.0002      0      0
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