Materials Data on Hg5Br11N by Materials Project

Abstract

(Hg5Br11)2N2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two ammonia molecules and two Hg5Br11 ribbons oriented in the (1, 0, 1) direction. In each Hg5Br11 ribbon, there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a distorted linear geometry to three Br1- atoms. There are two shorter (2.47 Å) and one longer (3.39 Å) Hg–Br bond lengths. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to six Br1- atoms. There are two shorter (2.48 Å) and four longer (3.51 Å) Hg–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to two Hg2+ atoms. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one Hg2+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom. In the fourth Br1- site, Br1- is bonded in a distorted square co-planar geometry to four equivalent Hg2+ atoms.