Schorlomite
Peterson R C, Locock A J, Luth R W
The Canadian Mineralogist 33 (1995) 627-631
Positional disorder of oxygen in garnet: the crystal-structure
refinement of schorlomite
Sample: model 1
_database_code_amcsd 0005430
12.157 12.157 12.157 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)
SiZ   .375     0   .25 .78   .014   .011   .011      0      0      0
FeZ   .375     0   .25 .22   .014   .011   .011      0      0      0
TiY      0     0     0 .53  .0070  .0070  .0070   .001   .001   .001
FeY      0     0     0 .35  .0070  .0070  .0070   .001   .001   .001
AlY      0     0     0 .07  .0070  .0070  .0070   .001   .001   .001
ZrY      0     0     0 .02  .0070  .0070  .0070   .001   .001   .001
MgY      0     0     0 .02  .0070  .0070  .0070   .001   .001   .001
MnY      0     0     0 .01  .0070  .0070  .0070   .001   .001   .001
CaX   .125     0   .25 .96   .003   .008   .008      0      0   .006
MgX   .125     0   .25 .03   .003   .008   .008      0      0   .006
NaX   .125     0   .25 .01   .003   .008   .008      0      0   .006
O    .0368 .0488 .6528       .016   .006   .012  -.003   .009  -.002