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 = 293 K, Pyrope - Almandine join
_database_code_amcsd 0001466
11.473 11.473 11.473 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 0.0099 0.0099 0.0041 0.0017      0      0
FeX       0    .25   .125  .2 0.0099 0.0099 0.0041 0.0017      0      0
AlY       0      0      0     0.0029 0.0029 0.0029 0.0001 0.0001 0.0001
SiZ    .375      0    .25     0.0026 0.0029 0.0029      0      0      0
O    .03313 .05019 .65329     0.0053 0.0056 0.0038 0.0010 -.0011 0.0002