Fluor-elbaite
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: Elbaite 55224
Locality: Minas Gerais, Brazil
_database_code_amcsd 0018794
15.846 15.846 7.119 90 90 120 R3m
atom      x      y     z occ  Uiso
NaX       0      0 .2339 .66 .0252
CaX       0      0 .2339 .03 .0252
AlY  .93857 .06143 .6298 .51 .0096
LiY  .93857 .06143 .6298 .34 .0096
MnY  .93857 .06143 .6298 .13 .0096
FeY  .93857 .06143 .6298 .01 .0096
AlZ  .29710 .26043 .6106     .0065
SiT  .19196 .18989     0 .97 .0054
BT   .19196 .18989     0 .03 .0054
B     .1093  .8907 .4541     .0074
F1   -.0095  .0095 .7818 .21 .0074
OH1  -.0095  .0095 .7818 .11 .0074
O1   -.0095  .0095 .7818 .01 .0074
O2   .06088 .93912 .4856     .0171
O3    .2668  .1334 .5095     .0124
O4   .09335  .1867 .0711     .0093
O5   .18708 .09354 .0941     .0098
O6    .1965  .1862 .7742     .0083
O7    .2862  .2860 .0789     .0074
O8    .2097  .2703 .4401     .0087
H3     .266   .133  .417      .002