Alum-(K)
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 0009912
12.1350 12.1350 12.1350 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)
K        .5     .5      .5      .0271  .0271  .0271  .0271  .0082  .0082  .0082
Al        0      0       0      .0130  .0130  .0130  .0130  .0001  .0001  .0001
S    .30610 .30610  .30610      .0150  .0150  .0150  .0150  .0018  .0018  .0018
O3   .23606 .23606  .23606 .787 .0294  .0294  .0294  .0294 -.0038 -.0038 -.0038
O3A   .3746  .3746   .3746 .213 .0226   .023   .023   .023  -.007  -.007  -.007
O4   .26302 .41979  .30624 .787 .0240  .0299  .0194  .0226  .0088  .0074  .0044
O4A   .2808  .2000   .3614 .213 .0185   .019   .016   .020   .002   .004   .009
O1   .15173 .02080 -.01985      .0191  .0150  .0231  .0190 -.0021  .0007  .0014
O2   .04692 .13071  .30399      .0232  .0233  .0227  .0235  .0007  .0022 -.0011
H11   .1750  .0365  -.0726       .034
H12   .1982  .0262    .034       .048
H21    .104   .155   .3000       .044
H22   .0009  .1821   .2914       .042