Materials Data on HgCSNCl by Materials Project

Abstract

HgCNSCl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hg2+ is bonded to two equivalent N3-, one S2-, and three equivalent Cl1- atoms to form distorted edge-sharing HgSN2Cl3 octahedra. Both Hg–N bond lengths are 2.84 Å. The Hg–S bond length is 2.42 Å. There are one shorter (2.39 Å) and two longer (3.22 Å) Hg–Cl bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. N3- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one C4+ atom. S2- is bonded in a distorted T-shaped geometry to one Hg2+, one C4+, and one Cl1- atom. The S–Cl bond length is 3.47 Å. Cl1- is bonded in a distorted single-bond geometry to three equivalent Hg2+ and one S2- atom.