Materials Data on NaHgCl3 by Materials Project

Abstract

NaHgCl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Na–Cl bond distances ranging from 2.77–3.46 Å. Hg2+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Hg–Cl bond distances ranging from 2.39–3.41 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent Na1+ and one Hg2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted square co-planar geometry to two equivalent Na1+ and two equivalent Hg2+ atoms. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and three equivalent Hg2+ atoms.