(NH3CH3)Al(SO4)2*12H2O
Abdeen A M, Will G, Schafer 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: neutron data
_database_code_amcsd 0010841
12.314 12.314 12.314 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    .5156 .5156 .5156  .5  2.7  .0044  .0044  .0044  .0009  .0009  .0009
Hn   .0837 .5363 .0275  .5  6.2  .0012  .0120  .0175  .0010  .0016  .0017
C    .4501 .4501 .4501  .5  9.8  .0162  .0162  .0162 -.0015 -.0015 -.0015
Hc   .3851 .5072 .4134  .5 13.2
Al       0     0     0      1.8  .0030  .0030  .0030      0      0      0
S    .3022 .3022 .3022      1.9  .0031  .0031  .0031 -.0015 -.0015 -.0015
Os1  .2341 .2341 .2341      4.9  .0080  .0080  .0080  .0006  .0006  .0006
Os2  .6911 .7530 .0914      4.5  .0057  .0118  .0048 -.0014  .0017 -.0051
Ow1  .8521 .9810 .0185      2.2  .0022  .0044  .0042 -.0003  .0011  .0002
Ow2  .0419 .1373 .2975      2.9  .0053  .0056  .0035 -.0002 -.0019 -.0017
H1   .5423 .2018 .4728      2.5  .0014  .0044  .0063 -.0018 -.0009 -.0001
H2   .4132 .1846 .4502      3.1  .0052  .0041  .0059  .0021 -.0019 -.0005
H3   .2143 .4941 .1944      4.1  .0066  .0074  .0063 -.0008  .0029  .0023
H4   .2148 .6103 .1697      4.0  .0090  .0045  .0063 -.0005  .0013  .0001