Materials Data on Li4V3NiO8 by Materials Project

Abstract

(LiVO2)3LiNiO2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one LiNiO2 ribbon oriented in the (0, 1, 1) direction and three LiVO2 ribbons oriented in the (0, 1, 1) direction. In the LiNiO2 ribbon, Li1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.54 Å. Ni2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ni–O bond lengths are 1.48 Å. O2- is bonded in a 2-coordinate geometry to one Li1+ and one Ni2+ atom. In each LiVO2 ribbon, Li1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.57 Å. V+3.33+ is bonded in a linear geometry to two equivalent O2- atoms. Both V–O bond lengths are 1.43 Å. O2- is bonded in a distorted linear geometry to one Li1+ and one V+3.33+ atom.