Ba F5.5 H1.5 Nb O1.5
Crosnier-Lopez M, Duroy H, Fourquet J
European Journal of Solid State and Inorganic Chemistry 30 (1993) 549-556
BaNbF7-x(OH)x: preparation and crystal structure
_cod_database_code 1000342
_database_code_amcsd 0012578
9.9259 9.9259 9.9259 90 90 90 Pa3
atom     x     y     z   occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Nb1  .2234 .2234 .2234        .0091  .0091  .0091  .0004  .0004  .0004
Ba1     .5    .5    .5        .0134  .0134  .0134  .0012  .0012  .0012
Ba2      0     0     0        .0108  .0108  .0108  .0001  .0001  .0001
F1   .2570 .4443 .6162 .7857  .0170  .0148  .0144 -.0017  .0026  .0034
O1   .2570 .4443 .6162 .2143  .0170  .0148  .0144 -.0017  .0026  .0034
F2   .3627 .2220 .6028 .7857  .0142  .0261  .0158  .0071 -.0014 -.0032
O2   .3627 .2220 .6028 .2143  .0142  .0261  .0158  .0071 -.0014 -.0032
F3   .3351 .3351 .3351 .7857  .0220  .0220  .0220 -.0021 -.0021 -.0021
O3   .3351 .3351 .3351 .2143  .0220  .0220  .0220 -.0021 -.0021 -.0021