Materials Data on HgS2(NO3)2 by Materials Project

Abstract

HgSO3N2SO3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of eight ammonia molecules, four sulfur trioxide molecules, and four HgSO3 clusters. In each HgSO3 cluster, Hg2+ is bonded in a single-bond geometry to one O2- atom. The Hg–O bond length is 3.01 Å. S2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.44 Å) and one longer (1.45 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one S2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2+ atom.