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 bls2h1, heated in air at 700 C for 10 h
Locality: Blocherleitengraben, Lower Austria
_database_code_amcsd 0019251
15.917 15.917 7.2520 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 .21929 .970  .0207  .0222  .0222  .0176  .0111       0       0
CaX        0       0 .21929 .030  .0207  .0222  .0222  .0176  .0111       0       0
FeY  .126210 .063105 .63391 .724 .00985 .01277 .00741 .01114 .00639 -.00559 -.00280
AlY  .126210 .063105 .63391 .276 .00985 .01277 .00741 .01114 .00639 -.00559 -.00280
AlZ  .297531  .25723 .60489 .773 .00732 .00524 .00927 .00681 .00314  .00007  .00207
FeZ  .297531  .25723 .60489 .227 .00732 .00524 .00927 .00681 .00314  .00007  .00207
SiT  .191134  .19027 .00136      .00554 .00524 .00498 .00645 .00260 -.00043 -.00055
B     .11019  .22039  .4533       .0071  .0060  .0064  .0090  .0032   .0001   .0001
O1         0       0  .7643       .0102  .0106  .0106  .0094  .0053       0       0
O2    .06080  .12160 .48499      .00948  .0101  .0057  .0112 .00284  .00012   .0002
O3    .26034  .13017 .52235      .01054  .0146  .0099  .0086  .0073  -.0003 -.00014
O4    .09408  .18815 .07761      .00968  .0072  .0140  .0101  .0070 -.00037  -.0007
O5    .18202  .09101 .08532      .01018  .0153  .0075  .0103  .0077   .0015  .00076
O6    .19188  .18634 .77885      .00846  .0093  .0091  .0061  .0041  -.0005  -.0007
O7    .28586  .28515 .07673      .00855  .0070  .0069  .0093  .0017  -.0012  -.0010
O8    .20932  .27020 .44018      .00910  .0054  .0089  .0129  .0034   .0005   .0024