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 GRO
Locality: Val di Fassa, Italy
_database_code_amcsd 0007907
11.871 11.871 11.871 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 .967  .47  .0006  .0009  .0009      0      0  .0000
Fe2+X  .125     0   .25 .010  .47  .0006  .0009  .0009      0      0  .0000
Mn2+X  .125     0   .25 .003  .47  .0006  .0009  .0009      0      0  .0000
MgX    .125     0   .25 .020  .47  .0006  .0009  .0009      0      0  .0000
AlY       0     0     0 .905  .38  .0007  .0007  .0007  .0000  .0000  .0000
Fe3+Y     0     0     0 .095  .38  .0007  .0007  .0007  .0000  .0000  .0000
TiY       0     0     0 .005  .38  .0007  .0007  .0007  .0000  .0000  .0000
SiZ    .375     0   .25       .33  .0005  .0006  .0006      0      0      0
O     .0384 .0457 .6518       .44  .0008  .0009  .0007  .0003 -.0001  .0001