Ba3AlF9
Le Bail A
Journal of Solid State Chemistry 103 (1993) 287-291
beta-Ba3AlF9, a complex structure determined from conventional
X-ray powder diffraction
_cod_database_code 1000104
_database_code_amcsd 0013770
7.5318 14.8674 14.5732 90 90 90 Pnc2
atom     x     y     z
Ba1  .5101 .1449     0
Ba2  .7687 .0941 .4335
Ba3  .7489 .2751 .2230
Ba4  .2443 .1904 .3043
Ba5  .2604 .3919 .1003
Ba6      0     0 .1494
Ba7      0     0 .8285
Al1  .9812 .6946 .5148
Al2     .5     0 .7911
Al3     .5     0 .2001
F1   .1175 .7724 .9205
F2   .9610 .1901 .5569
F3   .7923 .7379 .4643
F4   .1351 .1918 .1130
F5   .1658  .646 .5722
F6   .0916 .4178 .4908
F7   .4334 .1144 .7961
F8   .3274 .5367 .3851
F9   .3494 .5239 .2094
F10  .6844 .9887 .2849
F11  .4754 .8755 .1818
F12  .6472 .5062 .6063
F13  .0772 .1550 .7531
F14  .8698 .9220 .4343
F15  .9198 .1264 .2723
F16  .4611 .7172 .8609
F17  .4274 .8006 .4956
F18     .5     0 .5784
F19      0     0 .6168