Materials Data on HgN3 by Materials Project

Abstract

HgN3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Hg1+ is bonded in a distorted single-bond geometry to four N+0.33- atoms. There are a spread of Hg–N bond distances ranging from 2.18–3.14 Å. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. There is one shorter (1.16 Å) and one longer (1.22 Å) N–N bond length. In the second N+0.33- site, N+0.33- is bonded in a 2-coordinate geometry to three equivalent Hg1+ and one N+0.33- atom. In the third N+0.33- site, N+0.33- is bonded in a distorted bent 120 degrees geometry to one Hg1+ and one N+0.33- atom.