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 = 296 K
_database_code_amcsd 0009915
12.2305 12.2305 12.2305 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      .0519  .0519  .0519  .0519  .0083  .0083  .0083
Al        0      0      0      .0196  .0196  .0196  .0196 -.0002 -.0002 -.0002
S    .31138 .31138 .31138      .0259  .0259  .0259  .0259  .0037  .0037  .0037
O3    .2434  .2434  .2434 .843 .0650  .0650  .0650  .0650 -.0166 -.0166 -.0166
O3A   .3779  .3779  .3779 .157 .1300   .130   .130   .130  -.052  -.052  -.052
O4    .2676  .4232  .3157 .843 .0465  .0640  .0342  .0417  .0240  .0205  .0103
O4A   .2918  .2065   .368 .157 .0640   .067   .044   .082   .026   .052   .040
O1    .1521 .01508 -.0144      .0284  .0226  .0355  .0271 -.0034  .0007  .0021
O2   .04606 .13994 .29729      .0405  .0457  .0351  .0408  .0025 -.0076 -.0060
H11    .176   .028  -.066       .037
H12    .192   .018   .038       .040
H21   .1140  .1732   .293       .104
H22    .004  .1919  .2958       .120