Ba3 F12 H4 Nb2 O4
Crosnier-Lopez M, Fourquet J
Journal of Solid State Chemistry 105 (1993) 92-99
Ba3Nb2O2F12.2H2O: Synthesis and crystal structure
_cod_database_code 1000352
_database_code_amcsd 0013780
22.633 7.804 7.748 90 90 90 Cmc2_1
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1      0 .1050     0  .0137  .0188  .0112      0      0 -.0018
Ba2  .1951 .3097 .7887  .0119  .0120  .0100  .0010  .0001  .0002
Nb1  .8600 .7676 .7907  .0143  .0240  .0096 -.0101 -.0001  .0004
F1   .2970 .1532 .6368  .0147  .0211  .0106 -.0074 -.0023 -.0019
F2   .3867 .2905 .5405  .0149  .0227  .0158 -.0038  .0022 -.0021
F3   .4362 .3993 .7915  .0151  .0284  .0182 -.0105 -.0004 -.0021
F4   .3830 .2971 .0373  .0215  .0309  .0094 -.0104 -.0014 -.0040
F5   .2950 .1550 .9390  .0147  .0170  .0127 -.0035  .0009  .0003
F6   .3964 .0398 .7947  .0205  .0175  .0317  .0058  .0006  .0022
O1   .3120 .4595 .7848  .0210  .0084  .0244  .0019 -.0011  .0013
O2      .5 .7197 .6630  .0888  .0202  .0218      0      0  .0044
O3      .5 .0350 .4777  .0318  .0256  .0410      0      0  .0039