AlF3
Le Bail A, Fourquet J, Bentrup U
Journal of Solid State Chemistry 100 (1992) 151-159
t-AlF3: crystal structure determination from X-ray powder diffraction
data. A new MX3 corner-sharing octahedra 3D network
_cod_database_code 1000110
_database_code_amcsd 0013741
10.1843 10.1843 7.1738 90 90 90 *P4/nmm
.25 -.25 0
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al1      0     0     0  .0131  .0131  .0163  .0043 -.0008 -.0008
Al2    .25 .9135 .3287  .0159  .0184  .0178      0      0  .0029
Al3    .25   .25 .4121  .0137  .0137  .0138      0      0      0
Al4    .25   .25 .9082  .0124  .0124  .0051      0      0      0
F1   .6216 .0524 .8390  .0182  .0174  .0154   .002 -.0001  .0044
F2     .25 .0781 .4105  .0315  .0275  .0176      0      0 -.0006
F3   .1215 .1215 .9089  .0205  .0205  .0143 -.0006  .0027  .0027
F4   .1267 .8733    .5  .0261  .0261  .0124 -.0069  .0014  .0014
F5     .75   .25 .2442  .0083  .0184  .0186      0      0      0
F6     .25   .25 .6633  .0112  .0112  .0301      0      0      0
F7     .25   .25 .1606  .0142  .0142  .0327      0      0      0