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Static deformation densities in both Na2SaO 3 and MgS2Oa.6H20 were derived by multipole refinement of X-ray diffraction data collected at 120 K. The deformation density is very similar in both thiosulfate groups. The lone-pair density at the hydrate O atoms is affected by cation and hydrogen-bond influences. Net atomic charges obtained by fuzzy-boundary integration are unrealistic for Na and Mg owing to the diffuse nature of the metal 3s shell. For H atoms contracted valence shells (KH----1"4) should be used. Dipole moments for the hydrate molecules range from 1.6 to 2.4 D (1 D = 3.3 x 10 -30 Cm) depending on the partitioning model employed.

The electron deformation density in tetrasulfur tetraimide (S,(NH),, orthorhombic, Pbnm (No. 62), a = 6.694