Tschermigite
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
Note: Neutron data
_database_code_amcsd 0010844
12.248 12.248 12.248 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    .5070 .5070 .5070   .5  1.62  .0027  .0027  .0027 -.0013 -.0013 -.0013
Hn1  .4389 .4389 .4389   .5 10.73  .0179  .0179  .0179  .0095  .0095  .0095
Hn2  .4375 .4969 .5314   .5  8.07  .0116  .0251  .0037 -.0010  .0028 -.0054
Al       0     0     0       1.92  .0032  .0032  .0032      0      0      0
S    .3111 .3111 .3111       4.02  .0067  .0067  .0067  .0012  .0012  .0012
O1A  .2385 .2385 .2385 .831  5.69  .0095  .0095  .0095  .0001  .0001  .0001
O1B  .3831 .3831 .3831 .169  9.65  .0161  .0161  .0161 -.0077 -.0077 -.0077
O2A  .3137 .2640 .4199 .831  3.59  .0045  .0083  .0052  .0029  .0020  .0036
O2B  .2105 .3556 .2823 .169 11.33  .0058  .0367  .0142  .0072 -.0021  .0090
Ow1  .0177 .9829 .1530       2.38  .0057  .0022  .0040 -.0010  .0005 -.0011
Ow2  .0442 .1367 .2990       3.18  .0063  .0034  .0062 -.0005  .0019 -.0007
H1   .0275 .0432 .2059       3.70  .0056  .0087  .0042 -.0001 -.0001  .0006
H2   .0429 .9171 .1874       3.28  .0085  .0042  .0037  .0007 -.0035  .0006
H3   .9958 .1965 .2834       4.86  .0090  .0089  .0064  .0012 -.0021 -.0005
H4   .1182 .1676 .2937       6.19  .0092  .0085  .0132  .0004 -.0059 -.0040