Almandine
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
Py20-Alm80 at T = 293 K, Pyrope - Almandine join
_database_code_amcsd 0001468
11.516 11.516 11.516 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  .2 0.0081 0.0081 0.0037 0.0005      0      0
FeX      0   .25  .125  .8 0.0081 0.0081 0.0037 0.0005      0      0
AlY      0     0     0     0.0034 0.0034 0.0034 -.0008 -.0008 -.0008
SiZ   .375     0   .25     0.0031 0.0041 0.0041      0      0      0
O    .0339 .0491 .6529     0.0048 0.0072 0.0049 0.0006 -.0014 -.0001