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"Triaquamanganese sulfite revisited"
M.E. Díaz de Vivar, S. Baggio, M.T. Garland and R. Baggio
Acta Cryst. C 62(9) (2006) i79-i82
Orthorhombic Mn(SO3)(H2O)3 has been reinvestigated by single-crystal X-ray diffraction in two possible space groups, viz. P212121 (with all atoms in general positions) and Pnma (with the molecule bisected by a mirror plane). The results confirm the lower symmetry assigned in a previous single-crystal neutron diffraction study. However, the refinement of the P212121 model requires the introduction of racemic twinning and soft positional and displacement restraints for the H atoms. The importance of a scrupulous report on symmetry absence violations as standard policy in crystallographic work is discussed.
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