Dolomite
Reeder R J, Markgraf S A
American Mineralogist 71 (1986) 795-804
High-temperature crystal chemistry of dolomite
Sample: Rigid-body refinement, Temperature = 400 deg C
_database_code_amcsd 0001032
4.8162 4.8162 16.132 90 90 120 R-3
atom     x      y      z B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
Ca       0      0      0  .0225  .0225 .00144 .01125       0       0
Mg       0      0     .5  .0161  .0161 .00143 .00805       0       0
C        0      0 .24305  .0158  .0158 .00124  .0079       0       0
O    .2456 -.0369 .24415  .0205  .0284 .00229  .0155 -.00136 -.00216