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
Py100-Alm0 at T = 100 K, Pyrope - Almandine join
_database_code_amcsd 0001460
11.441 11.441 11.441 90 90 90 Ia-3d
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
MgX       0    .25   .125 .00506 .00506 .00274 .00119       0      0
AlY       0      0      0 .00210 .00210 .00210 .00000  .00000 .00000
SiZ    .375      0    .25 .00166 .00192 .00192      0       0      0
O    .03292 .05067 .65333 .00313 .00370 .00252 .00043 -.00062 .00000