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 = 298 K
_database_code_amcsd 0004244
4.667 8.834 8.395 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   .9051 .13123  .0817     .0037  .0037  .0026  .0048  .0002 -.00001  .0002
Si   .3996 .94088    .25     .0030  .0026  .0020  .0045  .0003       0      0
O1   .7059 .03129    .25     .0045  .0038  .0041  .0054 -.0011       0      0
O2   .4529 .75627    .25     .0046  .0055  .0026  .0057  .0008       0      0
O3   .2114 .98961 .09270     .0045  .0043  .0037  .0054  .0008  -.0011 -.0002
F4   .5976 .25265 .05971 .78 .0067  .0060  .0056  .0084  .0022  -.0008  .0010
O4   .5976 .25265 .05971 .22 .0067  .0060  .0056  .0084  .0022  -.0008  .0010
H4    .495   .252  .1629 .22  .037   .041   .049   .019   .026    .015   .014