Dravite
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: Dravite 43230
Locality: Yinnietharra, Western Australia
_database_code_amcsd 0018792
15.941 15.941 7.201 90 90 120 R3m
atom      x      y     z   occ  Uiso
NaX       0      0 .2368   .82 .0214
CaX       0      0 .2368   .09 .0214
MgY  .12484 .06242 .6325 .7433 .0108
AlY  .12484 .06242 .6325  .233 .0108
LiY  .12484 .06242 .6325 .0007 .0108
Fe2Y .12484 .06242 .6325   .01 .0108
Fe3Y .12484 .06242 .6325   .01 .0108
AlZ  .29795 .26162 .6121 .9017 .0046
MgZ  .29795 .26162 .6121 .0833 .0046
TiZ  .29795 .26162 .6121  .015 .0046
SiT  .19182 .18993     0 .9833 .0052
BT   .19182 .18993     0 .0133 .0052
TiT  .19182 .18993     0 .0033 .0052
B     .1098  .2196 .4545       .0063
OH1       0      0 .7720   .58 .0108
F1        0      0 .7720   .17 .0108
O1        0      0 .7720   .25 .0108
O2   .06098  .1220 .4850       .0112
O3   .26438 .13219 .5112       .0123
O4   .09317 .18634 .0700       .0102
O5   .18362 .09181 .0914       .0104
O6    .1957  .1856 .7768       .0091
O7    .2850 .28475 .0790       .0084
O8    .2096  .2702 .4410       .0096
H3     .262   .131  .406       .0100