Materials Data on LiNO3 by Materials Project

Abstract

LiNO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to two equivalent N5+ and four equivalent O2- atoms. Both Li–N bond lengths are 1.90 Å. There are two shorter (2.01 Å) and two longer (2.11 Å) Li–O bond lengths. N5+ is bonded in a distorted single-bond geometry to two equivalent Li1+ and one O2- atom. The N–O bond length is 1.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Li1+ and one O2- atom. The O–O bond length is 1.34 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom.