Pyrope
Gibbs G V, Smith J V
American Mineralogist 50 (1965) 2023-2039
Refinement of the crystal structure of synthetic pyrope
refinement D, note that temperature factors reported for Si were labelled
incorrectly in the paper
_database_code_amcsd 0000142
11.459 11.459 11.459 90 90 90 Ia-3d
atom      x      y      z B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
Al        0      0      0 .00060 .00060 .00060 .00004  .00004  .00004
Mg     .125      0    .25 .00102 .00167 .00167      0       0  .00041
Si     .375      0    .25 .00056 .00046 .00046      0       0       0
O    .03284 .05014 .65330 .00099 .00103 .00078 .00013 -.00014 -.00009