Alum-(Na)
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 0019047
12.243 12.243 12.243 90 90 90 Pa3
atom       x      y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Rb        .5     .5    .5  .0050  .0050  .0050  .0031  .0031  .0031
Al         0      0     0  .0025  .0025  .0025  .0011  .0011  .0011
S      .3127  .3127 .3127  .0028  .0028  .0028 -.0006 -.0006 -.0006
O(1)   .2471  .2471 .2471  .0117  .0117  .0117  .0056  .0056  .0056
O(2)   .3172  .2639 .4237  .0058  .0126  .0038  .0064 -.0016  .0072
Wat(1) .0451  .1406 .2975  .0039  .0030  .0016  .0001 -.0001  .0001
Wat(2) .0173 -.0148 .1554  .0011  .0040  .0013  .0006  .0015 -.0015