(NH3CH3)Al(SO4)2*12H2O
Abdeen A M, Will G, Schaefer W, Kirfel A, Bargouth M O, Recker K, Weiss A
Zeitschrift fur Kristallographie 157 (1981) 147-166
X-ray and neutron diffraction study of alums
II. The crystal structure of methylammonium aluminium alum
III. The crystal structure of ammonium aluminium alum
Sample: X-ray data
_database_code_amcsd 0010842
12.322 12.322 12.322 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)
N    .5137  .5137 .5137  .5  3.4  .0056  .0056  .0056  .0004 -.0004 -.0004
C    .4504  .4504 .4504  .5  6.6  .0109  .0109  .0109 -.0040 -.0040 -.0040
Al       0      0     0      2.3  .0037  .0037  .0037      0      0      0
S    .3020   .302  .302      2.8  .0046  .0046  .0046  .0012  .0012  .0012
Os1  .2324  .2324 .2324      6.6  .0108  .0108  .0108 -.0008 -.0008 -.0008
Os2  .6932  .7523 .0917      5.5  .0065  .0132  .0075 -.0042  .0018 -.0065
Wat1 .8497  .9803 .0197      2.6  .0036  .0051  .0043 -.0002  .0004  .0007
Wat2 .0420  .1351 .2965      3.6  .0064  .0057  .0057 -.0001 -.0007 -.0004