Materials Data on TeIrO6 by Materials Project

Abstract

IrTeO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ir is bonded to six O atoms to form IrO6 octahedra that share corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 42–44°. There is four shorter (1.93 Å) and two longer (1.94 Å) Ir–O bond length. Te is bonded to six O atoms to form TeO6 octahedra that share corners with six equivalent IrO6 octahedra. The corner-sharing octahedra tilt angles range from 42–44°. All Te–O bond lengths are 1.98 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Ir and one Te atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Ir and one Te atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Ir and one Te atom.