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: Neutron refinement at T = 10 K
_database_code_amcsd 0004245
4.657 8.838 8.426 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   .9056 .1313  .0817     .0029  .0028  .0013 .00472  .0003  -.0005  .0006
Si   .3996 .9409    .25     .0027  .0018  .0011  .0052  .0003       0      0
O1   .7069 .0312    .25     .0038  .0039  .0026  .0050 -.0004       0      0
O2   .4528 .7562    .25     .0039  .0042  .0014  .0062  .0012       0      0
O3   .2117 .9899  .0926     .0037  .0031  .0020  .0061  .0006  -.0006  .0001
F4   .5973 .2525 .05992 .79 .0047  .0040  .0028  .0072  .0008  -.0003 -.0001
O4   .5973 .2525 .05992 .21 .0047  .0040  .0028  .0072  .0008  -.0003 -.0001
H4    .492  .251  .1637 .21  .025   .027   .027   .022   .010    .015   .008