Materials Data on Zr(SO3)2 by Materials Project

Zr(SO3)2 crystallizes in the orthorhombic Fddd space group. The structure is zero-dimensional and consists of sixteen Zr(SO3)2 clusters. Zr4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. All Zr–O bond lengths are 2.05 Å. S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.44–1.69 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in an L-shaped geometry to one Zr4+ and one S4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the third O2- site, O2- is bonded in a water-like geometry to one Zr4+ and one S4+ atom.