Grossular
Geiger C A, Armbruster T
American Mineralogist 82 (1997) 740-747
Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics
and thermodynamic properties
Sample: at T = 293 K
_database_code_amcsd 0001927
11.619 11.619 11.619 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)
CaX       0    .25   .125  .0076  .0076  .0033  .0026      0      0
AlY       0      0      0  .0032  .0032  .0032  .0000  .0000  .0000
Si      3/8      0    .25  .0023  .0029  .0029      0      0      0
O    .03491 .04791 .65250  .0044  .0055  .0036  .0010 -.0010  .0001