Na.58Ag.18Mg2.12Al6.98B3Si5.90O27.53OH3F.47
London D, Ertl A, Hughes J M, Morgan VI G B, Fritz E A, Harms B S
American Mineralogist 91 (2006) 680-684
Synthetic Ag-rich tourmaline: Structure and chemistry
Note: Y(B) adjusted to satisfy symmetry constraint
_database_code_amcsd 0004143
15.8995 15.8995 7.1577 90 90 120 R3m
atom      x      y     z  occ   Uiso
NaX       0      0   .75  .58  .0186
AgX       0      0   .75  .18  .0186
AlY  .87520 .93760 .3440 .513  .0109
MgY  .87520 .93760 .3440 .487  .0109
AlZ  .70238 .73859 .3647  .89  .0063
MgZ  .70238 .73859 .3647  .11  .0063
Si   .80832 .81032 .9752 .983 .00571
Al   .80832 .81032 .9752 .017 .00571
B     .8903  .7806 .5220       .0083
OH1W      0      0 .2057  .53  .0114
F1W       0      0 .2057  .47  .0114
O2   .93904  .8781 .4877       .0123
O3V   .7365 .86825 .4655       .0115
O4   .90628  .8126 .9039       .0115
O5    .8145 .90727 .8815       .0112
O6   .80489 .81525 .2000       .0092
O7   .71404 .71441 .8975       .0086
O8   .78999 .72960 .5356       .0098
H3     .743   .871  .563        .008