Ba5 F20 H Nb3 O3
Crosnier-Lopez M, Duroy H, Fourquet J
Journal of Solid State Chemistry 107 (1993) 211-217
Ba5Nb3O3F18(HF2): synthesis and crystal structure
_cod_database_code 1000353
_database_code_amcsd 0013785
11.935 11.935 7.852 90 90 120 P6_3/m
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     0     0      .0226  .0226  .0082  .0113      0      0
Ba2    1/3   2/3   .25      .0099  .0099  .0151  .0050      0      0
Ba3  .6401 .5605   .25      .0123  .0128  .0109  .0068      0      0
Nb1  .2819 .3285   .25      .0135  .0096  .0110  .0031      0      0
F1   .3921 .4901 .0989      .0170  .0124  .0140  .0050  .0041  .0004
F2   .2434 .8359   .25      .0155  .0142  .0233  .0053      0      0
F3   .2261 .2776 .4900      .0196  .0175  .0126  .0070  .0019  .0020
O1   .1411 .1413   .25  .5  .0306  .0102  .0219 -.0071      0      0
F4   .1411 .1413   .25  .5  .0306  .0102  .0219 -.0071      0      0
O2   .7015 .1152   .25  .5  .0206  .0049  .0366  .0056      0      0
F5   .7015 .1152   .25  .5  .0206  .0049  .0366  .0056      0      0
F6     1/3   2/3 .8907      .0242  .0242  .0110  .0121      0      0