Materials Data on LiVTeO5 by Materials Project

Abstract

LiVTeO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form distorted edge-sharing LiO6 octahedra. There are a spread of Li–O bond distances ranging from 2.10–2.53 Å. V5+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.46 Å. Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.77 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Li1+ and one V5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one V5+, and one Te4+ atom. In the fourth O2- site, O2- is bonded to two equivalent Li1+, one V5+, and one Te4+ atom to form distorted corner-sharing OLi2VTe trigonal pyramids.