BaCuInF7
de Kozak A, Samouel M, Renaudin J, Ferey G
Zeitschrift fur Kristallographie 189 (1989) 77-87
Structure of BaCuInF7: The interpretation beween a pyrochlor-like
edge-sharing network of octahedra and a defect fluorite structure
_cod_database_code 1000485
_database_code_amcsd 0010995
6.843 6.843 12.001 90 90 90 *I4_1/amd
0 -.25 .125
atom     x   y     z occ U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Ba1      0 .25  .375      .0226  .0226  .0229 -.00068      0      0
Cu1      0   0     0  .5  .0094  .0084  .0370  -.0036      0      0
In1      0   0     0  .5  .0094  .0084  .0370  -.0036      0      0
F1   .2854   0     0      .0213  .0358  .0324  -.0120      0      0
F2       0 .25 .0937      .0398  .0175  .0327       0      0      0
F3       0 .75  .125      .0573  .0573  .0414       0      0      0