Alum-(K)
Larson A C, Cromer D T
Acta Crystallographica 22 (1967) 793-800
Refinement of the alum structures. III. X-ray study of the a alums,
K, Rb and NH4Al(SO4)2*12H2O
Locality: Synthetic
_database_code_amcsd 0019046
12.157 12.157 12.157 90 90 90 Pa3
atom       x      y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K         .5     .5    .5 .70  2.6
K'      .485   .485  .485 .30  2.9
Al         0      0     0           .0023  .0023  .0023  .0014  .0014  .0014
S      .3075  .3075 .3075           .0029  .0029  .0029  .0003  .0003  .0003
O(1)   .2388  .2388 .2388 .70       .0096  .0096  .0096 -.0028 -.0028 -.0028
O(1)'  .3729  .3729 .3729 .30  6.3
O(2)   .3105  .2648 .4228 .70       .0071  .0057  .0031  .0036 -.0004  .0044
O(2)'  .2038  .3736 .2901 .30  3.2
Wat(1) .0465  .1353 .3007           .0048  .0035  .0025  .0002  .0009 -.0005
Wat(2) .0206 -.0190 .1544           .0022  .0040  .0017  .0004  .0004 -.0006