Materials Data on Li6TeO6 by Materials Project

Abstract

Li6(TeO6) crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.10 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.11 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.11 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. All Te–O bond lengths are 1.96 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Li1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one Te6+ atom.