Grossular
Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L
Physics and Chemistry of Minerals 22 (1995) 159-169
Local structural environment of calcium in garnets:
A combined structure-refinement and XANES investigation
Note: sample BRIC
Locality: Bric Canizzi, Liguria, Italy
_database_code_amcsd 0007906
11.967 11.967 11.967 90 90 90 Ia-3d
atom      x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
CaX    .125     0   .25 .963  .48  .0006  .0010  .0010      0      0  .0000
Fe2+X  .125     0   .25 .023  .48  .0006  .0010  .0010      0      0  .0000
Mn2+X  .125     0   .25 .013  .48  .0006  .0010  .0010      0      0  .0000
AlY       0     0     0 .500  .39  .0007  .0007  .0007  .0000  .0000  .0000
Fe3+Y     0     0     0 .380  .39  .0007  .0007  .0007  .0000  .0000  .0000
Fe2+Y     0     0     0 .060  .39  .0007  .0007  .0007  .0000  .0000  .0000
TiY       0     0     0 .060  .39  .0007  .0007  .0007  .0000  .0000  .0000
SiZ    .375     0   .25       .34  .0005  .0006  .0006      0      0      0
O     .0387 .0469 .6532       .51  .0009  .0009  .0008 -.0003  .0001  .0001