Materials Data on RbHg5Cl11 by Materials Project

Abstract

RbHg5Cl11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.36–3.90 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a distorted linear geometry to seven Cl1- atoms. There are a spread of Hg–Cl bond distances ranging from 2.34–3.44 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two equivalent Cl1- atoms. Both Hg–Cl bond lengths are 2.34 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Hg2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Rb1+ and three equivalent Hg2+ atoms. In the third Cl1- site, Cl1- is bonded to two equivalent Rb1+ and four equivalent Hg2+ atoms to form corner-sharing ClRb2Hg4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Rb1+ and two equivalent Hg2+ atoms.