Spessartine
Smyth J R, Madel R E, McCormick T C, Munoz J L, Rossman G R
American Mineralogist 75 (1990) 314-318
Crystal-structure refinement of a F-bearing spessartine garnet
_database_code_amcsd 0001299
11.628 11.628 11.628 90 90 90 Ia-3d
atom     x     y     z occ B(1,1) B(2,2) B(3,3)   B(1,2)   B(1,3)   B(2,3)
Mn    .125     0   .25 .89 .00066 .00124 .00124        0        0   .00022
Fe    .125     0   .25 .09 .00066 .00124 .00124        0        0   .00022
Ca    .125     0   .25 .02 .00066 .00124 .00124        0        0   .00022
Al       0     0     0 .94 .00076 .00076 .00076 -.000076 -.000076 -.000076
Fe       0     0     0 .06 .00076 .00076 .00076 -.000076 -.000076 -.000076
Si    .375     0   .25 .90 .00083 .00061 .00061        0        0        0
Al    .375     0   .25 .05 .00083 .00061 .00061        0        0        0
O    .0336 .0481 .6520 .89 .00132 .00114 .00096  -.00002  -.00004  -.00014
F    .0336 .0481 .6520 .08 .00132 .00114 .00096  -.00002  -.00004  -.00014
OH   .0336 .0481 .6520 .03 .00132 .00114 .00096  -.00002  -.00004  -.00014