Materials Data on HgSNClO3 by Materials Project

Abstract

HgNSO3Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hg2+ is bonded in a 5-coordinate geometry to two equivalent O2- and three equivalent Cl1- atoms. Both Hg–O bond lengths are 2.72 Å. There are one shorter (2.45 Å) and two longer (3.12 Å) Hg–Cl bond lengths. N1- is bonded in a 3-coordinate geometry to three equivalent O2- atoms. There are two shorter (3.03 Å) and one longer (3.18 Å) N–O bond lengths. S6+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.45 Å) and two longer (1.46 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three equivalent N1- and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one S6+ atom. Cl1- is bonded in a 3-coordinate geometry to three equivalent Hg2+ atoms.