Beryl
Aurisicchio C, Fioravanti G, Grubessi O, Zanazzi P F
American Mineralogist 73 (1988) 826-837
Reappraisal of the crystal chemistry of beryl
Sample: S1
Locality: synthetic, flux-fusion
_database_code_amcsd 0001185
9.2077 9.2077 9.1953 90 90 120 P6/mcc
atom     x     y     z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   .3874 .1159     0 .995       .0047  .0043  .0024  .0023      0      0
Al1  .3874 .1159     0 .005       .0047  .0043  .0024  .0023      0      0
Be      .5     0   .25  .99 .005
Al2     .5     0   .25  .01 .005
Al3    2/3   1/3   .25  .98       .0056  .0056  .0027  .0028      0      0
Fe1    2/3   1/3   .25 .009       .0056  .0056  .0027  .0028      0      0
Fe2    2/3   1/3   .25 .011       .0056  .0056  .0027  .0028      0      0
O1   .3101 .2369     0            .0113  .0086  .0108  .0068      0      0
O2   .4988 .1457 .1453            .0086  .0065  .0041  .0034 -.0020 -.0004
Na       0     0   .25 .047