Sodium alum
Cromer D T, Kay M I, Larson A C
Acta Crystallographica 22 (1967) 182-187
Refinement of the alum structures. II. X-ray and neutron diffraction of
NaAl(SO4)2*12H2O, gamma alum
Locality: synthetic
_database_code_amcsd 0009306
12.213 12.213 12.213 90 90 90 Pa3
atom     x     y     z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Na      .5    .5    .5      .00412 .00412 .00412 -.00030 -.00030 -.00030
Al       0     0     0      .00284 .00284 .00284  .00050  .00050  .00050
S    .2652 .2652 .2652      .00397 .00397 .00397  .00044  .00044  .00044
OSl  .3343 .3343 .3343      .00687 .00687 .00687 -.00291 -.00291 -.00291
OS2  .2957 .2783 .1508      .01417 .00724 .00535 -.00987  .00733 -.00168
Ow3  .0767 .0403 .3188      .00619 .00591 .00419 -.00367  .00048  .00110
Ow4  .1371 .9596 .0573      .00338 .00438 .00498  .00077 -.00097  .00173
H1    .585  .319  .378  3.4
H2    .486  .308  .383  4.0
H3    .555  .202  .502  3.2
H4    .588  .339  .113  2.4