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 = 293 K, Pyrope - Almandine join
_database_code_amcsd 0001465
11.452 11.452 11.452 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 0.0104 0.0104 0.0045 0.0031      0      0
AlY       0      0      0 0.0031 0.0031 0.0031  .0000  .0000  .0000
SiZ    .375      0    .25 .00245 .00296 .00296      0      0      0
O    .03290 .05034 .65330 0.0048 0.0059 0.0036 0.0009 -.0011 -.0002