Fluor-schorl
Ertl A, Kolitsch U, Dyar M D, Hughes J M, Rossman G R, Pieczka A, Henry D J,
Pezzotta F, Prowatke S, Lengauer C L, Korner W, Brandstatter F,
Francis C A, Prem M, Tillmanns E
American Mineralogist 97 (2012) 1402-1416
Limitations of Fe2+ and Mn2+ site occupancy in tourmaline:
Evidence from Fe2+ - and Mn2+ -rich tourmaline
Note: sample bls2h2, heated a second time in air at 750 C for 72 h
Locality: Blocherleitengraben, Lower Austria
_database_code_amcsd 0019252
15.918 15.918 7.2600 90 90 120 R3m
atom       x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
NaX        0       0  .2199 .971  .0209  .0224  .0224  .0178  .0112       0       0
CaX        0       0  .2199 .029  .0209  .0224  .0224  .0178  .0112       0       0
FeY   .12583 .062916 .63456 .676 .00990 .01256 .00763 .01116 .00628 -.00515 -.00257
AlY   .12583 .062916 .63456 .324 .00990 .01256 .00763 .01116 .00628 -.00515 -.00257
AlZ  .297414  .25699 .60442 .751 .00767 .00541 .00953 .00728 .00314  .00017  .00223
FeZ  .297414  .25699 .60442 .249 .00767 .00541 .00953 .00728 .00314  .00017  .00223
SiT   .19105  .19018 .00121      .00590 .00562 .00553 .00662 .00284 -.00037 -.00057
B     .11011  .22023  .4532       .0079  .0075  .0067  .0094  .0033   .0002   .0003
O1         0       0  .7627       .0100  .0096  .0096  .0106  .0048       0       0
O2    .06072  .12143 .48567       .0100  .0102  .0064  .0121  .0032  .00010   .0002
O3    .25949  .12974 .52253       .0109  .0143  .0103  .0094  .0072  -.0001  -.0001
O4    .09423  .18846 .07786       .0102  .0077  .0146  .0106  .0073 -.00054  -.0011
O5    .18185  .09092 .08526       .0106  .0156  .0081  .0107  .0078   .0013   .0007
O6    .19142  .18593 .77868      .00888  .0101  .0095  .0065  .0045  -.0007  -.0006
O7    .28587  .28509 .07625      .00898  .0075  .0072  .0099  .0019  -.0011  -.0013
O8    .20918  .26999 .43951      .00993  .0060  .0090  .0142  .0033   .0004   .0023