Materials Data on H2NO2 by Materials Project

Abstract

NH2O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four NH2O2 clusters. there are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.25 Å) and two longer (1.28 Å) N–O bond length. In the second N site, N is bonded in a tetrahedral geometry to three H and one O atom. There is one shorter (1.04 Å) and two longer (1.05 Å) N–H bond length. The N–O bond length is 1.42 Å. There are four inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.72 Å) H–O bond length. In the second H site, H is bonded in a single-bond geometry to one N atom. In the third H site, H is bonded in a single-bond geometry to one N atom. In the fourth H site, H is bonded in a single-bond geometry to one N atom. There are four inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one N and one H atom. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a water-like geometry to one N and one H atom. In the fourth O site, O is bonded in a single-bond geometry to one N atom.