Materials Data on LiH2N by Materials Project

Abstract

LiNH2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two LiNH2 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded in a 4-coordinate geometry to four equivalent N3- and four H1+ atoms. There are a spread of Li–N bond distances ranging from 2.12–2.15 Å. There are a spread of Li–H bond distances ranging from 2.17–2.29 Å. N3- is bonded in a distorted water-like geometry to four equivalent Li1+ and two H1+ atoms. Both N–H bond lengths are 1.04 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two equivalent Li1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to two equivalent Li1+ and one N3- atom.