Materials Data on TmTe3O8 by Materials Project

Abstract

TmTe3O8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Tm–O bond distances ranging from 2.33–2.43 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded to five O atoms to form distorted TeO5 square pyramids that share corners with three equivalent TeO6 octahedra and an edgeedge with one TeO5 square pyramid. The corner-sharing octahedra tilt angles range from 50–65°. There are a spread of Te–O bond distances ranging from 1.98–2.27 Å. In the second Te site, Te is bonded to six O atoms to form corner-sharing TeO6 octahedra. There are a spread of Te–O bond distances ranging from 2.05–2.10 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Tm and two Te atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to one Tm and two equivalent Te atoms. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to one Tm and two Te atoms. In the fourth O site, O is bonded in a trigonal planar geometry to one Tm and two Te atoms.