Pyrope
Novak G A, Meyer H O A
American Mineralogist 55 (1970) 2124-2127
Refinement of the crystal structure of a chrome pyrope garnet: An inclusion in
natural diamond
_database_code_amcsd 0000218
11.526 11.526 11.526 90 90 90 Ia-3d
atom      x     y      z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mgx       0   .25   .125 .875 .00095 .00134 .00134       0       0  .00033
Fex       0   .25   .125 .089 .00095 .00134 .00134       0       0  .00033
Cax       0   .25   .125 .030 .00095 .00134 .00134       0       0  .00033
Mnx       0   .25   .125 .005 .00095 .00134 .00134       0       0  .00033
Aly       0     0      0 .670 .00058 .00058 .00058 -.00003 -.00003 -.00003
Cry       0     0      0 .286 .00058 .00058 .00058 -.00003 -.00003 -.00003
Fey       0     0      0 .044 .00058 .00058 .00058 -.00003 -.00003 -.00003
Si        0   .25   .375 .996 .00068 .00068 .00055       0       0       0
Al        0   .25   .375 .004 .00068 .00068 .00055       0       0       0
O1   .03346 .0507 .65366      .00130 .00142 .00115 0.00006 -.00019  .00002