Materials Data on Mg(Hg11N3)2 by Materials Project

Abstract

Mg(Hg11N3)2 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Mg is bonded in a square co-planar geometry to four equivalent N atoms. All Mg–N bond lengths are 2.13 Å. There are five inequivalent Hg sites. In the first Hg site, Hg is bonded in a single-bond geometry to one Hg and one N atom. The Hg–Hg bond length is 2.71 Å. The Hg–N bond length is 2.20 Å. In the second Hg site, Hg is bonded in a single-bond geometry to one Hg and one N atom. The Hg–Hg bond length is 2.98 Å. The Hg–N bond length is 2.14 Å. In the third Hg site, Hg is bonded in a single-bond geometry to two Hg and one N atom. There are one shorter (3.10 Å) and one longer (3.27 Å) Hg–Hg bond lengths. The Hg–N bond length is 2.46 Å. In the fourth Hg site, Hg is bonded in a 9-coordinate geometry to nine Hg atoms. In the fifth Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Hg atoms. There are two inequivalent N sites. In the first N site, N is bonded in a distorted trigonal bipyramidal geometry to five Hg atoms. In the second N site, N is bonded in a trigonal planar geometry to one Mg and two equivalent Hg atoms.