Pyrope
Armbruster T, Geiger C A, Lager G A
American Mineralogist 77 (1992) 512-521
Single-crystal X-ray structure study of synthetic pyrope almandine garnets at
100 and 293 K
Py60-Alm40 at T = 293 K, Pyrope - Almandine join
_database_code_amcsd 0001467
11.485 11.485 11.485 90 90 90 Ia-3d
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgX       0    .25   .125  .6 0.0095 0.0095 0.0045 0.0015      0      0
FeX       0    .25   .125  .4 0.0095 0.0095 0.0045 0.0015      0      0
AlY       0      0      0     0.0032 0.0032 0.0032  .0000  .0000  .0000
SiZ    .375      0    .25     0.0027 0.0032 0.0032      0      0      0
O    .03337 .04986 .65306     0.0050 0.0065 0.0040 0.0009 -.0009 -.0001