BaTiO3
Kwei G H, Lawson A C, Billinge S J L, Cheong S W
Journal of Physical Chemistry 97 (1993) 2368-2377
Structures of the ferroelectric phases of barium titanate
Locality: synthetic
Note: T = 100 K
_database_code_amcsd 0018587
4.0042 4.0042 4.0042 89.836 89.836 89.836 R3m
atom     x     y     z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba       0     0     0 -.0010 -.0010 -.0010 -.0010 -.0042 -.0042 -.0042
Ti   .4893 .4893 .4893  .0047  .0047  .0047  .0047  .0008  .0008  .0008
O    .5113 .5113 .0200  .0025  .0028  .0028  .0024  .0008  .0008  .0008