Witherite
Antao S M, Hassan I
Physics and Chemistry of Minerals 34 (2007) 573-580
BaCO3: high-temperature crystal structures and the Pmcn --> R3m phase
transition at 811 C
Locality: synthetic
Sample: T = 401 C
_database_code_amcsd 0009102
5.3264 8.9247 6.5751 90 90 90 Pmcn
atom     x     y      z  Uiso
Ba     .25 .4165  .7562 .0217
C      .25 .7460 -.0707 .0561
O1     .25 .8978 -.0752 .0561
O2   .4651 .6817 -.0784 .0561