American Mineralogist Crystal Structure Database

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Al Ba3 F9
 
Renaudin J, Ferey G, de Kozak A, Samouel M
European Journal of Solid State and Inorganic Chemistry 28 (1991) 373-381
Crystal structure of a polytypic form of Ba3AlF9(form Ib)
_cod_database_code 1000329
_database_code_amcsd 0012542
10.063 5.567 14.88 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  .4463    .25 .3995  .0112  .0153  .0109      0  .0000      0
Ba2  .3306    .25 .9577  .0115  .0112  .0125      0 -.0003      0
Ba3  .2343    .25 .6801  .0136  .0117  .0099      0 -.0022      0
Al1  .0236    .25 .3320  .0092  .0098  .0100      0  .0001      0
F1   .3660    .25 .2257  .0195  .0310  .0135      0  .0078      0
F2   .1728    .25 .4001  .0169  .0171  .0184      0 -.0067      0
F3   .1403    .25 .8490  .0188  .0400  .0141      0 -.0033      0
F4   .1489 -.0029 .0440  .0175  .0159  .0166  .0008  .0018  .0016
F5   .4563  .0187 .0934  .0154  .0130  .0157 -.0017 -.0028 -.0021
F6   .0837  .0204 .2601  .0253  .0271  .0323 -.0135  .0034  .0059
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