Fluor-tsilaisite
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 mnelb3h, heated in air at 750 C for 30 h
Locality: Elba, Italy
_database_code_amcsd 0019254
15.852 15.852 7.1480 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  .7750 .674  .0237  .0256  .0256  .0200  .0128       0       0
AlY   .87639 .938193 .36624 .706 .00820 .01002 .00635 .00944 .00501 -.00381 -.00190
MnY   .87639 .938193 .36624 .294 .00820 .01002 .00635 .00944 .00501 -.00381 -.00190
AlZ  .703240 .741089 .39232 .935 .00685 .00522 .00904 .00591 .00328  .00004  .00164
MnZ  .703240 .741089 .39232 .065 .00685 .00522 .00904 .00591 .00328  .00004  .00164
SiT  .808599 .810065 .99750      .00519 .00499 .00479 .00579 .00245 -.00049 -.00053
B     .89009  .78019 .54634      .00656  .0058  .0059  .0079 .00297 -.00006  -.0001
F1         0       0  .2363  .14  .0150  .0156  .0156  .0138  .0078       0       0
O1         0       0  .2363  .86  .0150  .0156  .0156  .0138  .0078       0       0
O2    .93913  .87826 .51095      .01150  .0137  .0059  .0124 .00294  .00018   .0004
O3    .74050  .87025 .48491      .01167  .0192  .0099  .0090 .00958  -.0006 -.00029
O4    .90523  .81046 .92215      .00977  .0070  .0145  .0103 .00724 -.00063  -.0013
O5    .81440  .90720 .90727      .01069  .0171  .0080  .0101 .00855   .0023  .00113
O6    .80696  .81508 .22339      .00814  .0081  .0090  .0059 .00321 -.00034 -.00006
O7    .71347  .71388 .92205      .00740  .0066  .0066  .0071 .00178 -.00071 -.00129
O8    .79026  .72920 .56059      .00797  .0052  .0091  .0096 .00357  .00068  .00274
H3      .751   .8757   .622        .085