Materials Data on Sr2LiTeO6 by Materials Project

Abstract

LiSr2TeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li is bonded to six O atoms to form LiO6 octahedra that share corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 19–20°. There are a spread of Li–O bond distances ranging from 2.12–2.20 Å. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.59–2.86 Å. Te is bonded to six O atoms to form TeO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 19–20°. There is four shorter (1.94 Å) and two longer (1.95 Å) Te–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to one Li, two equivalent Sr, and one Te atom. In the second O site, O is bonded in a 5-coordinate geometry to one Li, three equivalent Sr, and one Te atom. In the third O site, O is bonded in a 5-coordinate geometry to one Li, three equivalent Sr, and one Te atom.