Materials Data on TaRhO4 by Materials Project

Abstract

TaRhO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with eight equivalent RhO6 octahedra and edges with two equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are two shorter (1.99 Å) and four longer (2.02 Å) Ta–O bond lengths. Rh3+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with eight equivalent TaO6 octahedra and edges with two equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are four shorter (2.05 Å) and two longer (2.06 Å) Rh–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ta5+ and one Rh3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ta5+ and two equivalent Rh3+ atoms.