Ba3 F9 O Ta
Crosnier-Lopez M, Duroy H, Fourquet J, Laligant Y
European Journal of Solid State and Inorganic Chemistry 32 (1995) 457-468
Synthesis and crystal structure of Ba3 Ta O F9
_cod_database_code 1000393
_database_code_amcsd 0012597
5.9422 26.39499 5.9590 90 90 90 Cmcm
atom    x      y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ta1     0 .16318   .25      .0291  .0261  .0229      0      0      0
Ba1     0 .31269   .25      .0535  .0179  .0561      0      0      0
Ba2     0 .55842   .25      .0182  .0185  .0239      0      0      0
Ba3     0 .94031   .25      .0245  .0221  .0165      0      0      0
O1   .246      0     0  .5  .0165  .0376  .0152      0      0  .0015
F1   .246      0     0  .5  .0165  .0376  .0152      0      0      0
F2      0  .0867   .25      .0951  .0323  .0793      0      0      0
F3   .228  .1390 .0232      .1300  .1286  .1078 -.0202  .0926 -.0142
F4      0  .4110   .25      .1557  .0266  .2365      0      0      0
F5   .151  .2187 .0961  .5  .1309  .0307  .1169 -.0136  .0752  .0063