Jakobssonite
Hemon A, Courbion G
Acta Crystallographica C47 (1991) 1302-1303
Refinement of the room-temperature structure of alpha-CaAlF5
_cod_database_code 1000300
_database_code_amcsd 0010259
8.712 6.317 7.349 90 115.04 90 C2/c
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca       0 .5424   .25  .0074  .0077  .0068      0  .0031     .0
Al       0     0     0  .0068  .0059  .0058 -.0002  .0029  .0001
F1       0 .9422   .25  .0207  .0110  .0085      0  .0089      0
F2   .0114 .7169 .9737  .0223  .0066  .0114  .0006  .0098 -.0006
F3   .7789 .9822 .8870  .0070  .0243  .0191 -.0011  .0029  .0000