Materials Data on LaTiTeO6 by Materials Project

Abstract

LaTiTeO6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P3 space group. The structure is three-dimensional. La3+ is bonded to six O2- atoms to form LaO6 octahedra that share corners with six equivalent TiO6 octahedra and corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. All La–O bond lengths are 2.48 Å. Ti3+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent LaO6 octahedra and edges with three equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. All Ti–O bond lengths are 2.00 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent LaO6 octahedra and edges with three equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are three shorter (2.04 Å) and three longer (2.05 Å) Te–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one La3+, one Ti3+, and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one La3+, one Ti3+, and one Te6+ atom.