Ba2 F6 O Ti
Crosnier M, Fourquet J
Journal of Solid State Chemistry 99 (1992) 355-363
Synthesis and crystal structure of a new acentric oxyfluoride:
Ba2TiOF6
_cod_database_code 1000341
_database_code_amcsd 0013740
11.446 9.304 7.252 90 126.67 90 Cc
atom     x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1      0  .1715     0  .0091  .0096  .0098 -.0020  .0056 -.0022
Ba2  .7016  .8779 .6567  .0091  .0091  .0086 -.0003  .0056 -.0008
Ti1  .3263 -.0065 .0856  .0088  .0087  .0100  .0006  .0057  .0014
F1   .2275  .1689 .9509  .0177  .0137  .0186  .0062  .0123  .0060
F2   .5133  .0870 .2648  .0137  .0152  .0221 -.0036  .0128 -.0056
F3   .4203  .8186 .2633  .0105  .0117  .0117  .0015  .0052  .0017
F4   .1445  .0941 .4787  .0113  .0142  .0156  .0001  .0085  .0004
F5   .8858  .9582 .1085  .0124  .0208  .0107 -.0036  .0040  .0032
F6   .1995  .3539 .2831  .0119  .0143  .0116 -.0043  .0050 -.0029
O1   .3321  .0641 .3653  .0242  .0159  .0102 -.0039  .0142 -.0029