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 = 100 K, Pyrope - Almandine join
_database_code_amcsd 0001462
11.471 11.471 11.471 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 0.0043 0.0043 0.0016 0.0004      0      0
FeX       0    .25   .125  .4 0.0043 0.0043 0.0016 0.0004      0      0
AlY       0      0      0     0.0014 0.0014 0.0014 -.0001 -.0001 -.0001
SiZ    .375      0    .25     0.0009 0.0015 0.0015      0      0      0
O    .03327 .05031 .65291     0.0024 0.0031 0.0023 0.0005 -.0009 -.0002