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 2, split oxygen
_database_code_amcsd 0005431
12.157 12.157 12.157 90 90 90 Ia-3d
atom     x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
SiZ   .375     0   .25 .78        .017   .010   .010      0      0      0
FeZ   .375     0   .25 .22        .017   .010   .010      0      0      0
TiY      0     0     0 .53       .0071  .0071  .0071   .001   .001   .001
FeY      0     0     0 .35       .0071  .0071  .0071   .001   .001   .001
AlY      0     0     0 .07       .0071  .0071  .0071   .001   .001   .001
ZrY      0     0     0 .02       .0071  .0071  .0071   .001   .001   .001
MgY      0     0     0 .02       .0071  .0071  .0071   .001   .001   .001
MnY      0     0     0 .01       .0071  .0071  .0071   .001   .001   .001
CaX   .125     0   .25 .96        .000   .009   .009      0      0   .006
MgX   .125     0   .25 .03        .000   .009   .009      0      0   .006
NaX   .125     0   .25 .01        .000   .009   .009      0      0   .006
O1   .0406 .0479 .6556  .5 .006
O2    .521  .448  .360  .5 .006