Materials Data on Li2GeTeO6 by Materials Project

Abstract

Li2GeTeO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.05 Å) and three longer (2.42 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.07 Å) and three longer (2.42 Å) Li–O bond lengths. Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share edges with three equivalent TeO6 octahedra. There is three shorter (1.91 Å) and three longer (1.96 Å) Ge–O bond length. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share edges with three equivalent GeO6 octahedra. There is three shorter (1.95 Å) and three longer (1.97 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to two Li1+, one Ge4+, and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to two Li1+, one Ge4+, and one Te6+ atom.