Fluor-elbaite
Bosi F, Andreozzi G B, Skogby H, Lussier A J, Abdu Y, Hawthorne F C
American Mineralogist 98 (2013) 297-303
Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species
of the tourmaline supergroup
Note: split-site SREF
Locality: Urubu mine, Minas Gerais, Brazil
_database_code_amcsd 0019776
15.9083 15.9083 7.1229 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  .2364  .83  .0261  .0286  .0286  .0212  .0143      0       0
CaX        0      0  .2364  .02  .0261  .0286  .0286  .0212  .0143      0       0
LiY   .12424 .06212 .62767 .247  .0104  .0100  .0088  .0129 .00502 -.0012 -.00058
Mn2+Y .12424 .06212 .62767  .03  .0104  .0100  .0088  .0129 .00502 -.0012 -.00058
Fe2+Y .12424 .06212 .62767 .303  .0104  .0100  .0088  .0129 .00502 -.0012 -.00058
AlY   .12424 .06212 .62767  .40  .0104  .0100  .0088  .0129 .00502 -.0012 -.00058
ZnY   .12424 .06212 .62767  .02  .0104  .0100  .0088  .0129 .00502 -.0012 -.00058
AlZ   .29768 .26081 .61157      .00780  .0079  .0093  .0067 .00472 .00047  .00076
Si    .19200 .18999      0      .00646  .0063 .00612 .00689 .00302 .00008 -.00027
B     .10948  .2190  .4553       .0092  .0098  .0108  .0073  .0054  .0000   .0000
F1     .0238 .01188  .7854 .233  .0142
OH1    .0238 .01188  .7854 .063  .0142
O1     .0238 .01188  .7854 .037  .0142
O2     .0518  .9299  .4846   .5  .0103
O3    .26888 .13444  .5097       .0110  .0206  .0104  .0053  .0103  .0000   .0000
H3      .262  .1308  .3728        .015
O4    .09313 .18626  .0709       .0100  .0086  .0131  .0099  .0065 -.0003  -.0006
O5    .18668 .09334  .0938       .0105  .0147  .0088  .0100  .0074  .0004   .0002
O6    .19722 .18699 .77565       .0089  .0084  .0104  .0061  .0034  .0001   .0000
O7    .28568 .28588 .08039       .0079  .0073  .0072  .0074  .0023  .0004  -.0010
O8    .20996 .27053 .44143       .0095  .0075  .0117  .0105  .0056  .0009   .0028