Pyrope
Novak G A, Gibbs G V
American Mineralogist 56 (1971) 791-825
The crystal chemistry of the silicate garnets
sample Py
Locality: synthetic
_database_code_amcsd 0000238
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)
Si     .375      0    .25 .00039 .00043 .00043      0       0       0
Al        0      0      0 .00075 .00075 .00075 .00001  .00001  .00001
Mg     .125      0    .25 .00121 .00170 .00170      0       0  .00039
O    .03285 .05015 .65335 .00104 .00103 .00087 .00012 -.00005 -.00005