American Mineralogist Crystal Structure Database

1 matching records for this search.

Elbaite
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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 2
Locality: Paraiba, Brazil
_database_code_amcsd 0020257
15.881 15.881 7.112 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 .2350  .90 .0242   .027   .027   .019   .014      0      0
CaX       0      0 .2350  .03 .0242   .027   .027   .019   .014      0      0
AlY  .12456 .06228 .6305  .50 .0081  .0073  .0068   .010  .0027 -.0011 -.0005
LiY  .12456 .06228 .6305  .25 .0081  .0073  .0068   .010  .0027 -.0011 -.0005
CuY  .12456 .06228 .6305  .09 .0081  .0073  .0068   .010  .0027 -.0011 -.0005
ZnY  .12456 .06228 .6305  .09 .0081  .0073  .0068   .010  .0027 -.0011 -.0005
MnY  .12456 .06228 .6305  .06 .0081  .0073  .0068   .010  .0027 -.0011 -.0005
FeY  .12456 .06228 .6305  .01 .0081  .0073  .0068   .010  .0027 -.0011 -.0005
AlZ  .29773 .26045 .6109 .975 .0067  .0073  .0081  .0053  .0042 -.0002  .0007
CuZ  .29773 .26045 .6109 .013 .0067  .0073  .0081  .0053  .0042 -.0002  .0007
ZnZ  .29773 .26045 .6109 .012 .0067  .0073  .0081  .0053  .0042 -.0002  .0007
SiT  .19208 .19001     0  .95 .0040  .0039  .0039  .0041  .0020  .0002  .0002
AlT  .19208 .19001     0  .05 .0040  .0039  .0039  .0041  .0020  .0002  .0002
B    .10899 .21798 .4564      .0057  .0065  .0044  .0057  .0022 -.0001 -.0000
O1w       0      0 .7873  .80  .047   .065   .065   .011   .032      0      0
O2   .06050  .1210 .4893      .0147   .022  .0043   .012  .0021 -.0000  .0000
O3v   .2692  .1346 .5079       .011   .025  .0094  .0038   .012 -.0004 -.0002
O4   .09309  .1862 .0723      .0079  .0064   .012  .0073  .0059 -.0007  -.003
O5    .1861 .09305 .0952      .0084   .015  .0067  .0063  .0074  .0005  .0002
O6   .19719 .18614 .7750      .0067  .0062  .0074  .0042  .0016  .0004  .0001
O7   .28616  .2859 .0796      .0060  .0045  .0065  .0052  .0015  .0003 -.0005
O8   .20945 .26984 .4407      .0068  .0038  .0099  .0070  .0036  .0009  .0032
F     .0357  .0178  .796  .02  .024
H      .305   .153  .397       .051
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