Magnesite
Markgraf S A, Reeder R J
American Mineralogist 70 (1985) 590-600
High-temperature structure refinements of calcite and magnesite
Sample: T = 200 C
_database_code_amcsd 0000991
4.639 4.639 15.065 90 90 120 R-3c
atom     x y   z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg       0 0   0  .0087  .0087 .00080 .00435      0      0
C        0 0 .25  .0089  .0089 .00065 .00445      0      0
O    .2775 0 .25  .0081  .0121 .00109 .00605 -.0002 -.0004