Elbaite
Vereshchagin O S, Rozhdestvenskaya I V, Frank-Kamenetskaya O V,
Zolotarev A A, Mashkovtsev R I
American Mineralogist 98 (2013) 1610-1616
Crystal chemistry of Cu-bearing tourmalines
Note: Sample 3
Locality: Paraiba, Brazil
_database_code_amcsd 0020258
15.840 15.840 7.1028 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 .2348 .65 .0190  .0206  .0206   .016  .0103      0      0
CaX       0      0 .2348 .09 .0190  .0206  .0206   .016  .0103      0      0
AlY   .1234  .0617 .6332 .54 .0065  .0057  .0055  .0085  .0028 -.0024 -.0012
LiY   .1234  .0617 .6332 .36 .0065  .0057  .0055  .0085  .0028 -.0024 -.0012
MnY   .1234  .0617 .6332 .10 .0065  .0057  .0055  .0085  .0028 -.0024 -.0012
AlZ  .29688 .26004 .6095 .97 .0057  .0062  .0071  .0043  .0036  .0003  .0010
CuZ  .29688 .26004 .6095 .03 .0057  .0062  .0071  .0043  .0036  .0003  .0010
SiT  .19197 .18979     0 .95 .0033  .0031  .0033  .0038  .0018  .0000 -.0003
AlT  .19197 .18979     0 .05 .0033  .0031  .0033  .0038  .0018  .0000 -.0003
B     .1091  .2182 .4545     .0045  .0043  .0045  .0048  .0023 -.0002 -.0003
O1w       0      0 .7773 .82  .027   .035   .035   .009   .018      0      0
O2   .06033  .1207 .4887     .0133   .020  .0032  .0112  .0016 -.0001 -.0003
O3v   .2653  .1326 .5078     .0110   .025  .0092  .0038  .0126 -.0003 -.0001
O4    .0937  .1874 .0733     .0073  .0050  .0114  .0077  .0057 -.0006 -.0012
O5    .1871  .0935 .0956     .0071  .0117  .0058  .0058  .0058  .0004  .0002
O6    .1955  .1848 .7743     .0060  .0069  .0082  .0027  .0036  .0004 -.0002
O7    .2865  .2860 .0785     .0051  .0042  .0043  .0048  .0005  .0002 -.0018
O8    .2094  .2697 .4386     .0059  .0035  .0077  .0068  .0030  .0004  .0031
F      .030   .015  .799 .02  .036
H     .2629  .1315 .3996      .091