Ba2 O112 P8 W32
Lamire M, Labbe P, Goreaud M, Raveau B
Journal of Solid State Chemistry 71 (1987) 342-348
Ba2 P8 W32 O112: Structural study in comparison with the K and Rb
diphosphate tungsten bronzes with hexagonal tunnels
_cod_database_code 1001724
_database_code_amcsd 0013605
17.90999 7.480 17.06059 90 114.739 90 A2/m
atom      x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1      .5    .5     .5   .071   .008   .016      0   .022      0
W1   .25747 .2491 .35697  .0038  .0040  .0040 -.0016  .0026  .0001
W2   .35709 .2477 .60271  .0035  .0099  .0029  -.001  .0021 -.0013
W3   .14923 .2509 .61269  .0054  .0027  .0058  -.001  .0037  .0004
W4   .05191 .2505 .37058  .0067  .0023  .0076   .000  .0048  .0000
P1    .4346 .2020  .3261
O1    .2605  .230  .6063
O2     .271     0   .357
O3     .279    .5   .383
O4     .055    .5   .361
O5     .056     0   .381
O6     .432     0   .342
O7    .4791  .224  .1151
O8    .1638  .234  .3700
O9     .326  .228   .490
O10    .169     0   .131
O11    .150    .5   .110
O12    .362    .5   .602
O13    .382     0   .626
O14   .0525  .233  .1247
O15   .3772  .285   .362
O16   .2152  .277   .243
O17    .413  .216   .236
O18    .103  .281   .495
O19       0   .25    .25