Materials Data on HNO by Materials Project

Abstract

NHO crystallizes in the monoclinic Cc space group. The structure is one-dimensional and consists of two NHO ribbons oriented in the (1, 0, 1) direction. there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a 2-coordinate geometry to one N1+ and two O2- atoms. The N–N bond length is 1.19 Å. There is one shorter (1.40 Å) and one longer (1.42 Å) N–O bond length. In the second N1+ site, N1+ is bonded in a distorted bent 120 degrees geometry to one N1+ and one H1+ atom. The N–H bond length is 1.79 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1+ and one O2- atom. The H–O bond length is 1.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one N1+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one N1+ and one H1+ atom.