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
Py80-Alm20 at T = 100 K, Pyrope - Almandine join
_database_code_amcsd 0001461
11.458 11.458 11.458 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  .8 0.0043 0.0043 0.0021  .0000      0      0
FeX       0    .25   .125  .2 0.0043 0.0043 0.0021      0      0      0
AlY       0      0      0     0.0016 0.0016 0.0016 -.0002 -.0002 -.0002
SiZ    .375      0    .25     0.0015 0.0020 0.0020      0      0      0
O    .03295 .05062 .65326     0.0037 0.0034 0.0024 0.0001 -.0005 0.0001