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-3
_database_code_amcsd 0001254
12.106 12.106 12.106 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      0.0086 0.0086 0.0055  .0024      0      0
FeY      0      0      0 .798 0.0052 0.0052 0.0052  .0004  .0004  .0004
AlY      0      0      0 .202 0.0052 0.0052 0.0052  .0004  .0004  .0004
Si    .375      0    .25 .860 0.0026 0.0030 0.0030      0      0      0
O    .0387 .04860 .65441      0.0102 0.0083 0.0077 -.0008  .0017 -.0007