Materials Data on NiS2O9 by Materials Project
NiO4SO2SO3 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four sulfur dioxide molecules, four sulfur trioxide molecules, and four NiO4 clusters. In each NiO4 cluster, Ni is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.84 Å) and two longer (1.85 Å) Ni–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Ni and one O atom. The O–O bond length is 1.33 Å. In the second O site, O is bonded in a 1-coordinate geometry to one Ni and one O atom.
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