American Mineralogist Crystal Structure Database

1 matching records for this search.

Ba3AlF9
 
Renaudin A, Ferey G, Kozak A, Samouel M
European Journal of Solid State and Inorganic Chemistry 27 (1990) 571-580
Polymorphic Ba3AlF9 : crystal structure of form I
_cod_database_code 1000288
_database_code_amcsd 0012532
19.706 5.599 15.173 90 90 90 Pnma
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .1079   .25 .1904  .0136  .0205  .0076      0 -.0012      0
Ba2  .2426   .25 .7881  .0125  .0135  .0068      0  .0008      0
Ba3  .3221   .25 .5061  .0127  .0209  .0108      0  .0039      0
Ba4  .0310   .25 .9075  .0137  .0153  .0074      0   .000      0
Ba5  .3162   .25 .0729  .0124  .0123  .0077      0 -.0005      0
Ba6  .9967   .25 .6233  .0141  .0145  .0055      0 -.0018      0
Al1  .1189   .25 .4292  .0068  .0165  .0088      0 -.0007      0
Al2  .3876   .25 .2787  .0178  .0146  .0079      0 -.0040      0
F1   .4726   .25 .3193
F2   .3004   .25 .2531
F3   .1886   .25 .5061
F4   .0460   .25 .3563
F5   .2246   .25 .9606
F6   .4433   .25 .7237
F7   .2137 .9947 .1441
F8   .0737 .0017 .0458
F9   .3664 .0263 .3567
F10  .0789 .0226 .4936
F11  .1568 .0222 .3593
F12  .4025 .0264 .1964
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