Materials Data on MgTeO4 by Materials Project

Abstract

MgTeO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with eight equivalent TeO6 octahedra and edges with two equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Mg–O bond distances ranging from 2.05–2.16 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with eight equivalent MgO6 octahedra and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Te–O bond distances ranging from 1.87–2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Mg2+ and two equivalent Te6+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one Te6+ atom.