Materials Data on Hg2PCl2 by Materials Project

Abstract

Hg2PCl2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 8-coordinate geometry to two equivalent P2- and six Cl1- atoms. Both Hg–P bond lengths are 2.48 Å. There are two shorter (3.26 Å) and four longer (3.51 Å) Hg–Cl bond lengths. In the second Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to one P2- and five Cl1- atoms. The Hg–P bond length is 2.45 Å. There are a spread of Hg–Cl bond distances ranging from 2.47–3.31 Å. P2- is bonded to three Hg2+ and one P2- atom to form corner-sharing PHg3P tetrahedra. The P–P bond length is 2.21 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to six Hg2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to five Hg2+ atoms.