Ba1.2Ti6.8Mg1.2O16
Fanchon E, Vicat J, Hodeau J, Wolfers P, Duc Tran Qui, Strobel P
Acta Crystallographica B43 (1987) 440-448
Commensurate ordering and domains in the Ba1.2Ti6.8Mg1.2O16 hollandite
_cod_database_code 1008813
_database_code_amcsd 0016683
10.227 14.907 9.964 90 90.77 90 I2/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      0 .13264     0      .0133  .0180  .0146      0  .0006      0
Ba2      0     .5     0      .0183  .0171  .0173      0  .0005      0
Ti1  .6556      0 .1630 .85
Mg1  .6556      0 .1630 .15
Ti2  .6428  .1993 .1779 .85
Mg2  .6428  .1993 .1779 .15
Ti3  .6474  .4001 .1629 .85
Mg3  .6474  .4001 .1629 .15
Ti4  .1580      0 .3400 .85
Mg4  .1580      0 .3400 .15
Ti5  .1731  .1993 .3540 .85
Mg5  .1731  .1993 .3540 .15
Ti6  .1613  .3999 .3476 .85
Mg6  .1613  .3999 .3476 .15
O1    .845      0  .195
O2    .842   .201 .1974
O3    .842  .4017  .200
O4    .851      0  .461
O5   .8449   .200 .4576
O6   .8363  .3989  .460
O7    .203      0  .149
O8   .2048   .198  .151
O9    .206  .4004  .150
O10   .462      0  .169
O11  .4573   .201 .1716
O12   .459  .3994 .1838