Materials Data on Hg3H6Pt(NCl4)2 by Materials Project

Abstract

PtHg3H6(NCl4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pt2+ is bonded in a square co-planar geometry to two equivalent N3- and two equivalent Cl1- atoms. Both Pt–N bond lengths are 2.08 Å. Both Pt–Cl bond lengths are 2.32 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a distorted linear geometry to four Cl1- atoms. There are two shorter (2.35 Å) and two longer (3.21 Å) Hg–Cl bond lengths. In the second Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to six Cl1- atoms. There are a spread of Hg–Cl bond distances ranging from 2.33–3.43 Å. N3- is bonded in a distorted trigonal non-coplanar geometry to one Pt2+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two Hg2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Hg2+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Hg2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Pt2+ and two Hg2+ atoms.