Lanmuchangite
Nyburg S C, Steed J, Aleksovska S, Petrusevski V M
Acta Crystallographica B56 (2000) 204-209
Structure of the alums. I. On the sulfate group disorder in the alpha-alums
Locality: synthetic
Sample: T = 173 K
_database_code_amcsd 0009916
12.2070 12.2070 12.2070 90 90 90 Pa3
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Tl       .5     .5     .5      .0314  .0314  .0314  .0314  .0087  .0087  .0087
Al        0      0      0      .0101  .0101  .0101  .0101 -.0001 -.0001 -.0001
S    .31104 .31104 .31104      .0135  .0135  .0135  .0135  .0025  .0025  .0025
O3    .2420  .2420  .2420 .940 .0328  .0328  .0328  .0328 -.0061 -.0061 -.0061
O3A    .377   .377   .377 .060 .0500   .050   .050   .050  -.030  -.030  -.030
O4    .2666 .42301 .31399 .940 .0261  .0372  .0198  .0213  .0164  .0112  .0057
O4A    .282   .201   .368 .060 .0100   .019   .000   .010   .008   .010   .016
O1    .1526 .01481 -.0146      .0159  .0121  .0213  .0142 -.0027  .0009  .0018
O2    .0469 .13812 .29852      .0220  .0235  .0201  .0225  .0033 -.0039 -.0012
H11    .174   .034  -.068       .033
H12    .194   .024   .042       .037
H21    .115   .159   .296       .045
H22    .005   .183   .293       .041