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