Tschermigite
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
Locality: synthetic
Sample: X-ray data
_database_code_amcsd 0010843
12.242 12.242 12.242 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    .5082  .5082 .5082   .5 2.88  .0048  .0048  .0048  .0003  .0003  .0003
Al       0      0     0      1.68  .0027  .0027  .0027      0      0      0
S    .3083  .3083 .3083      2.04  .0034  .0034  .0034  .0006  .0006  .0006
Os1  .2401  .2401 .2401 .831 4.68  .0078  .0078  .0078 -.0021 -.0021 -.0021
Os2  .3130  .2652 .4199 .831 3.68  .0055  .0084  .0045  .0030  .0012  .0033
Os1' .3709  .3709 .3709 .169 8.93  .0149  .0149  .0149 -.0062 -.0062 -.0062
Os2' .2098  .3701 .2889 .169 8.41  .0100  .0218  .0103  .0142  .0053  .0134
Wat1 .0171 -.0162 .1520      2.24  .0047  .0038  .0027  .0001 -.0003  .0001
Wat2 .0454  .1377 .2979      3.22  .0059  .0047  .0055  .0005 -.0011 -.0009