TlAlSiO4
Kyono A, Kimata M, Shimizu M
American Mineralogist 85 (2000) 1287-1293
The crystal structure of TlAlSiO4: The role of inert pairs in exclusion
of Tl from silicate minerals
_database_code_amcsd 0002510
5.4095 9.4232 8.2629 90 90 90.01 P2_1/n
atom     x      y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Tl   .7502  .1891 .4973  .0428  .0260  .0328  .0008 -.0002  .0010
Si   .2503  .0765 .2052  .0236  .0231  .0231  .0002 -.0021  .0006
Al   .2490  .4168 .3082  .0106  .0106  .0140  .0021  .0001 -.0018
O1   .2500  .0657 .0140  .0263  .0611  .0172  .0017 -.0015 -.0018
O2   .2447  .2379 .2639  .0713  .0172  .0754  .0167  .0128  .0014
O3   .0066  .9982 .2788  .0274  .0334  .0275 -.0034  .0020 -.0044
O4   .4932 -.0012 .2824  .0198  .0368  .0202  .0131  .0022  .0012