Andradite
Lager G A, Armbruster T, Rotella F J, Rossman G R
American Mineralogist 74 (1989) 840-851
OH substitution in garnets: X-ray and neutron diffraction, infrared, and
geometric-modeling studies
sample SB-1
_database_code_amcsd 0001252
12.057 12.057 12.057 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)
CaX       0    .25   .125      0.0075 0.0075 0.0048  .0015      0      0
FeY       0      0      0 .841 0.0044 0.0044 0.0044 -.0002 -.0002 -.0002
AlY       0      0      0 .159 0.0044 0.0044 0.0044 -.0002 -.0002 -.0002
Si     .375      0    .25 .960 0.0035 0.0038 0.0038      0      0      0
O    .03923 .04842 .65500      0.0066 0.0075 0.0064  .0001  .0002  .0001