Materials Data on Hg2P3Cl by Materials Project

Abstract

Hg2P3Cl is Hausmannite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Hg1+ is bonded in a 6-coordinate geometry to three P+0.33- and three equivalent Cl1- atoms. There are a spread of Hg–P bond distances ranging from 2.50–2.97 Å. There are a spread of Hg–Cl bond distances ranging from 3.05–3.52 Å. There are two inequivalent P+0.33- sites. In the first P+0.33- site, P+0.33- is bonded to two equivalent Hg1+ and two P+0.33- atoms to form distorted corner-sharing PHg2P2 tetrahedra. There are one shorter (2.21 Å) and one longer (2.22 Å) P–P bond lengths. In the second P+0.33- site, P+0.33- is bonded to two equivalent Hg1+ and two equivalent P+0.33- atoms to form corner-sharing PHg2P2 tetrahedra. Cl1- is bonded in a 6-coordinate geometry to six equivalent Hg1+ atoms.