Materials Data on Sm2TeO6 by Materials Project

Abstract

Sm2TeO6 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sm3+ is bonded to six O2- atoms to form SmO6 octahedra that share corners with four equivalent SmO6 octahedra, corners with four equivalent TeO6 octahedra, an edgeedge with one SmO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 43–63°. There are two shorter (2.31 Å) and four longer (2.37 Å) Sm–O bond lengths. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with eight equivalent SmO6 octahedra and edges with two equivalent SmO6 octahedra. The corner-sharing octahedra tilt angles range from 43–46°. All Te–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sm3+ and one Te6+ atom.