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The crystal structure of the alums, (NH 3 CH 3 )Al(SO 4 ) 2  · 12H 2 O and (NH 4 )Al(SO 4 ) 2  · 12H 2 O, has been determined and refined from X-ray and neutron diffraction data. The compounds crystallize cubic in space group  Pa 3 ( Z  = 4) with  a  0  = 12.322(3) Å and  a  0  = 12.242(1) Å respectively. The positional and thermal parameters of all atoms including hydrogens have been refined by full matrix least-squares analysis resulting in  R w   values from the X-ray and neutron data of 0.030 and 0.029 respectively for the methylammonium alum and of 0.024 and 0.014 respectively for the ammonium alum.

zeitschrift für kristallographie - crystalline materials

X-Ray and neutron diffraction study of alums: II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum