Materials Data on HgN2O3 by Materials Project

Abstract

(Hg3N5O9)2N2 crystallizes in the cubic P4_132 space group. The structure is three-dimensional and consists of four ammonia molecules and one Hg3N5O9 framework. In the Hg3N5O9 framework, Hg2+ is bonded in a distorted rectangular see-saw-like geometry to two equivalent N2+ and two equivalent O2- atoms. Both Hg–N bond lengths are 2.08 Å. Both Hg–O bond lengths are 2.87 Å. There are two inequivalent N2+ sites. In the first N2+ site, N2+ is bonded in a trigonal planar geometry to three equivalent Hg2+ atoms. In the second N2+ site, N2+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.25 Å) and two longer (1.27 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one N2+ atom.