Ba4 F13 H5 Mo2 O6
Fourquet J, Duroy H, Crosnier-Lopez M
Zeitschrift fur Anorganische und Allgemeine Chemie 623 (1997) 439-443
Synthesis and crystal structure of Ba4 Mo2 O5 F7 (H F2)3.H2 O
_cod_database_code 1000451
_database_code_amcsd 0015815
16.49699 8.6939 11.5174 90 90 90 Pnnm
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .3125 .0145     0  .0131  .0090  .0168  .0003      0      0
Ba2  .1106 .2545 .1799  .0125  .0106  .0098 -.0004  .0006 -.0001
Ba3  .3090 .4878     0  .0137  .0088  .0141 -.0001      0      0
Mo1  .3416 .2532 .3399  .0103  .0131  .0078  .0003  .0002 -.0004
O1   .0654 .7527    .5  .0212  .0199  .0294  .0020      0      0
O2   .3289 .4514 .3479  .0275  .0117  .0254 -.0041  .0068 -.0025
O3   .4416 .2339 .3047  .0153  .0281  .0279  .0050  .0069 -.0048
O4   .3434 .2131    .5  .0236  .0342  .0137  .0000      0      0
F1   .2932 .7473    .5  .0144  .0167  .0124  .0004      0      0
F2   .3047 .2485 .1765  .0337  .0256  .0098  .0027 -.0076 -.0012
F3   .2105 .2513 .3699  .0135  .0133  .0190  .0009  .0017 -.0001
F4   .1895 .5282 .1743  .0260  .0128  .0251 -.0010  .0003  .0020
F5   .0605 .0624 .3575  .0204  .0314  .0240  .0090 -.0050  .0100
F6   .0601 .4355 .3622  .0198  .0263  .0253  .0082 -.0033 -.0062
F7   .0447 .0978     0  .0349  .0276  .0164 -.0161      0      0
F8   .4457 .9210    .5  .0276  .0243  .0242 -.0123      0      0