Materials Data on MgReO4 by Materials Project

Abstract

MgReO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with eight equivalent ReO6 octahedra and edges with two equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 48–51°. All Mg–O bond lengths are 2.10 Å. Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with eight equivalent MgO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 48–51°. There is two shorter (1.85 Å) and four longer (2.00 Å) Re–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one Re6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent Re6+ atoms.