Topaz
Diego Gatta G, Nestola F, Bromiley G D, Loose A
American Mineralogist 91 (2006) 1839-1846
New insight into crystal chemistry of topaz: a multi-methodological study
Locality: Ouro Preto, Minas Gerias, Brazil
Sample: X-ray refinement at T = 298 K
Note: x(F4) corrected
_database_code_amcsd 0004243
4.6601 8.8260 8.3778 90 90 90 Pbnm
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Al    .9053 .13131  .0816     .0039  .0034  .0040 .00436 .00008 -.00010 .00008
Si   .39976 .94088    .25     .0033  .0027  .0036  .0038  .0001       0      0
O1    .7064  .0311    .25      .005  .0041  .0054  .0054  .0017       0      0
O2    .4516  .7564    .25     .0049  .0059  .0037  .0050  .0009       0      0
O3    .2114 .98979 .09284     .0047  .0046  .0047  .0047  .0007  -.0011 -.0003
F4    .5982 .25263 .05988     .0083  .0075  .0084  .0089 -.0023   .0005  .0013