Acta Crystallographica Section C

Crystal Structure Communications

Volume 62, Part 9 (September 2006)

inorganic compounds

Acta Cryst. (2006). C62, i79-i82 [ doi:10.1107/S0108270106028253 ]

Triaquamanganese sulfite revisited

M. E. Díaz de Vivar, S. Baggio, M. T. Garland and R. Baggio

Abstract: 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.

Formula: Mn(SO₃)(H₂O)₃


	Structure factor file (CIF format) (58.9 kbytes) [ doi:10.1107/S0108270106028253/bc3010I_P212121sup2.hkl ] Contains datablock I_P212121

	Structure factor file (CIF format) (33.6 kbytes) [ doi:10.1107/S0108270106028253/bc3010I_Pnmasup3.hkl ] Contains datablock I_Pnma

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