Materials Data on Li3VFe3O8 by Materials Project

Abstract

LiVO2(LiFeO2)2FeO2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one iron dihydroxide molecule; two LiFeO2 ribbons oriented in the (0, 1, 1) direction; and one LiVO2 ribbon oriented in the (0, 1, 1) direction. In each LiFeO2 ribbon, Li1+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.61 Å. Fe+2.67+ is bonded in a linear geometry to two equivalent O2- atoms. Both Fe–O bond lengths are 1.44 Å. O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one Fe+2.67+ atom. In the LiVO2 ribbon, Li1+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.60 Å. V5+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both V–O bond lengths are 1.41 Å. O2- is bonded in a linear geometry to one Li1+ and one V5+ atom.