Materials Data on HgN6 by Materials Project

Abstract

HgN6 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. Hg2+ is bonded in a distorted linear geometry to five N+0.33- atoms. There are a spread of Hg–N bond distances ranging from 2.08–3.02 Å. There are six inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to two equivalent Hg2+ and one N+0.33- atom. The N–N bond length is 1.22 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.16 Å. In the third N+0.33- site, N+0.33- is bonded in a distorted bent 150 degrees geometry to one Hg2+ and one N+0.33- atom. In the fourth N+0.33- site, N+0.33- is bonded in a 2-coordinate geometry to two equivalent Hg2+ and one N+0.33- atom. The N–N bond length is 1.22 Å. In the fifth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.16 Å. In the sixth N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to one N+0.33- atom.