Materials Data on HgC6(S2N)2 by Materials Project

Abstract

HgC6(NS2)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two HgC6(NS2)2 ribbons oriented in the (0, 0, 1) direction. Hg2+ is bonded in a distorted linear geometry to six S2- atoms. There are a spread of Hg–S bond distances ranging from 2.45–3.44 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted trigonal planar geometry to one N3- and two S2- atoms. The C–N bond length is 1.44 Å. There is one shorter (1.65 Å) and one longer (1.71 Å) C–S bond length. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.35 Å. In the third C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.35 Å. N3- is bonded in a 3-coordinate geometry to three C2+ atoms. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one C2+ atom. In the second S2- site, S2- is bonded in an L-shaped geometry to one Hg2+ and one C2+ atom.