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 2672
Locality: Silver Crater, Hastings Co., Ontario, Canada
_database_code_amcsd 0018784
16.073 16.073 7.306 90 90 120 R3m
atom      x      y      z  occ  Uiso
NaX       0      0  .2301  .99 .0267
CaX       0      0  .2301  .01 .0267
Fe2Y .12356 .06178 .63534 .756 .0090
MgY  .12356 .06178 .63534 .237 .0090
VY   .12356 .06178 .63534 .007 .0090
AlZ  .29853 .26198 .61195  .57 .0061
Fe3Z .29853 .26198 .61195  .26 .0061
MgZ  .29853 .26198 .61195 .093 .0061
TiZ  .29853 .26198 .61195 .067 .0061
SiT  .19081 .18917      0      .0064
B     .1101  .2202  .4554      .0092
O1        0      0  .7800      .0202
O2   .06145  .1229  .4844      .0108
O3    .2658 .13290  .5122      .0138
O4   .09252 .18504  .0686      .0113
O5   .18348 .09174  .0875      .0110
O6   .19557  .1864  .7806      .0101
O7   .28323 .28328  .0783      .0109
O8   .20850  .2696  .4422      .0124
H1        0      0   .655   .6   .01
H3     .254   .127   .416        .01