BaCaAlF7
Werner F, Weil M
Acta Crystallographica E59 (2003) i17-i19
alpha-BaCaAlF7
_database_code_amcsd 0010396
5.3664 5.3846 18.8262 90 92.319 90  P2/n
atom      x      y        z   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Ba   .24906 .24041 -.067757 .01162 .01257 .01309 .00916 .00207 -.00020 .00030
Ca1     .75 .20769      .75 .00786  .0084  .0073  .0078      0  -.0005      0
Ca2     .25 .68150      .75 .00703  .0064  .0077  .0070      0   .0004      0
Al   .20069 .22470   .38092 .00837  .0091  .0089  .0071  .0002   .0000  .0002
F1    .5997  .5949   .56404  .0165  .0170  .0201  .0122 -.0069  -.0017 -.0016
F2    .5649  .8622   .68045  .0141  .0139  .0135  .0153 -.0004   .0054 -.0031
F3    .0901  .4812   .32626  .0133  .0129  .0121  .0146 -.0013  -.0023  .0047
F4    .4141  .3614   .69206  .0133  .0136  .0140  .0121  .0027  -.0017 -.0031
F5    .0530  .7185   .56042  .0159  .0132  .0200  .0151  .0027   .0053 -.0009
F6    .0154 -.0288   .67494  .0122  .0107  .0138  .0120 -.0022  -.0002 -.0012
F7    .2750 -.0454   .43446  .0167  .0190  .0144  .0167  .0033   .0005  .0049