Materials Data on Hg2CNCl5 by Materials Project

Abstract

Hg2Cl5CN crystallizes in the monoclinic C2/m space group. The structure is three-dimensional and consists of four hydrogen cyanide molecules and one Hg2Cl5 framework. In the Hg2Cl5 framework, there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to five Cl1- atoms. There are a spread of Hg–Cl bond distances ranging from 2.33–3.35 Å. In the second Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to five Cl1- atoms. There are a spread of Hg–Cl bond distances ranging from 2.33–3.36 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom. In the third Cl1- site, Cl1- is bonded in a distorted square co-planar geometry to four Hg2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Hg2+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Hg2+ atoms.