Beryl
Brown G E, Mills B A
American Mineralogist 71 (1986) 547-556
High-temperature structure and crystal chemistry of hydrous alkali-rich beryl
from the Harding pegmatite, Taos County, New Mexico
Sample: T = 800 deg C
_database_code_amcsd 0001013
9.259 9.259 9.264 90 90 120 P6/mcc
atom      x     y     z occ B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Be2      .5     0   .25 .86  .0064  .0025  .0062 -.00125      0      0
Li2      .5     0   .25 .13  .0064  .0025  .0062 -.00125      0      0
Al2      .5     0   .25 .01  .0064  .0025  .0062 -.00125      0      0
Al      2/3   1/3   .25      .0046  .0046  .0027   .0023      0      0
Si1   .3886 .1183     0 .98  .0032  .0038  .0027   .0018      0      0
Al1   .3886 .1183     0 .02  .0032  .0038  .0027   .0018      0      0
O1    .3042 .2336     0      .0079  .0041  .0090   .0042      0      0
O2    .4974 .1465 .1438      .0083  .0056  .0048   .0036 -.0039 -.0013
WatC1     0     0   .25 .55  .0272  .0272  .0106   .0136      0      0
CsC1      0     0   .25 .09  .0272  .0272  .0106   .0136      0      0
KC1       0     0   .25 .05  .0272  .0272  .0106   .0136      0      0
NaC2      0     0     0 .21  .0002  .0002  .0293   .0001      0      0
CaC2      0     0     0 .02  .0002  .0002  .0293   .0001      0      0
MgC2      0     0     0 .02  .0002  .0002  .0293   .0001      0      0
FeC2      0     0     0 .01  .0002  .0002  .0293   .0001      0      0