Materials Data on LiH2N by Materials Project

Abstract

LiNH2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Li1+ is bonded in a 8-coordinate geometry to four equivalent N3- and four H1+ atoms. There are two shorter (2.10 Å) and two longer (2.23 Å) Li–N bond lengths. There are two shorter (2.05 Å) and two longer (2.11 Å) Li–H bond lengths. N3- is bonded in a 1-coordinate geometry to four equivalent Li1+ and three H1+ atoms. There is one shorter (1.03 Å) and two longer (1.38 Å) N–H bond length. 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 distorted linear geometry to two equivalent Li1+ and two equivalent N3- atoms.