Triaquamanganese sulfite revisited.
Orthorhombic Mn(SO3)(H2O)3 has been reinvestigated by single-crystal X-ray diffraction in two possible space groups, viz. P2(1)2(1)2(1) (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 P2(1)2(1)2(1) 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.
Díaz de Vivar
M Enriqueta
ME
Universidad Nacional de la Patagonia, Sede Puerto Madryn, 9120 Puerto Madryn, Chubut, Argentina.
Baggio
Sergio
S
Garland
María Teresa
MT
Baggio
Ricardo
R