Schorl
Grice J D, Ercit T S
Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266
Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
Sample: Schorl CROSS
Locality: Cross Lake, Manitoba, Canada
_database_code_amcsd 0018786
15.972 15.972 7.160 90 90 120 R3m
atom      x      y     z  occ  Uiso
NaX       0      0 .2257  .49 .0298
Fe2Y .12304 .06152 .6299 .626 .0096
AlY  .12304 .06152 .6299 .207 .0096
LiY  .12304 .06152 .6299  .03 .0096
MgY  .12304 .06152 .6299 .057 .0096
MnY  .12304 .06152 .6299 .027 .0096
ZnY  .12304 .06152 .6299 .053 .0096
AlZ  .29827 .26162 .6105 .962 .0054
FeZ  .29827 .26162 .6105 .038 .0054
SiT  .19178 .18989     0 .983 .0049
BT   .19178 .18989     0 .017 .0049
B     .1102  .2204 .4538      .0082
OH1       0      0 .7809  .65 .0328
O1        0      0 .7809  .35 .0328
O2   .06181 .12362 .4840      .0142
O3    .2682  .1341 .5109      .0121
O4   .09328 .18656 .0682      .0092
O5   .18662 .09331 .0901      .0092
O6    .1977  .1876 .7759      .0086
O7    .2850  .2854 .0785      .0081
O8    .2098  .2707 .4408      .0095
H3     .264   .132  .416        .01