Materials Data on Li2TeO3 by Materials Project

Abstract

Li2TeO3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Li2TeO3 sheet oriented in the (0, 0, 1) direction. Li1+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.03 Å. Te4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.88 Å) and two longer (1.89 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Li1+ and one Te4+ atom. In the second O2- site, O2- is bonded to three equivalent Li1+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing OLi3Te trigonal pyramids.