Ba2 O9 V3
Dhaussy A, Abraham F, Mentre O, Steinfink H
Journal of Solid State Chemistry 126 (1996) 328-335
Crystal structure and characterization of Ba2 V3 O9: a vanadyl(IV)
vanadate containing rutile-like chains of V O6 octahedra
_cod_database_code 1004116
_database_code_amcsd 0013901
9.302 5.969 8.118 90 113.96 90 P2_1/m
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .58821    .25 .19377      .0081  .0099  .0096      0  .0037      0
Ba2  .76547    .25 .78224      .0153  .0209  .0139      0  .0098      0
V1   .32357    .25 .52905      .0070  .0060  .0097      0  .0043      0
V2   .18540    .25 .92363      .0074  .0087  .0064      0  .0018      0
V3   .98928 .03453 .47520  .5  .0064  .0054  .0078 -.0013  .0021 -.0011
O1    .3047  .0236 -.0083      .0167  .0088  .0117  .0019  .0026  .0017
O2    .2088  .0050  .4918      .0074  .0081  .0180 -.0009  .0051 -.0010
O3    .4228    .25  .3991      .0348  .0276  .0311      0  .0278      0
O4    .0681    .25  .0310      .0171  .0566  .0154      0  .0110      0
O5    .4537    .25  .7435      .0102  .0166  .0155      0 -.0014      0
O6    .9283    .25  .3286      .0090  .0125  .0107      0  .0036      0
O7    .0618    .25  .6790      .0116  .0076  .0077      0  .0016      0