RbAlF4
Fourquet J, Plet F, de Pape R
Acta Crystallographica B36 (1980) 1997-2000
RbAlF4: Structure of Its beta Metastable Form and Description of
the Mechanism of Its Irreversible and Topotactic Phase Transition
beta to alpha
_cod_database_code 1000175
_database_code_amcsd 0009714
11.666 11.666 12.551 90 90 90 I-4c2
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Rb1       0      0    .25  .0158  .0158  .0241  .0061      0      0
Rb2   .3415  .8404  .6881  .0320  .0174  .0226 -.0059  .0104  .0027
Al1      .5      0      0  .0063  .0063  .0106 -.0013      0      0
Al2   .7926  .0763  .0007  .0059  .0061  .0116  .0004  .0045  .0059
F1    .3445  .0011  .0015  .0082  .0119  .0285 -.0022  .0083  .0110
F2    .1419  .0667  .0012  .0108  .0075  .0398  .0025 -.0066  .0062
F3    .0777  .2061  .1385  .0351  .0181  .0233 -.0019  .0010 -.0062
F4   -.0801 -.2111 -.1400  .0198  .0178  .0024 -.0041 -.0014  .0048
F5    .2184 -.2816     .5  .0099  .0099  .0281  .0006  .0019 -.0019
F6        0     .5  .1379  .0081  .0401  .0096 -.0103      0      0