Materials Data on NbRhO4 by Materials Project

Abstract

RhNbO4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with four equivalent NbO6 octahedra, corners with four equivalent RhO6 octahedra, and edges with two equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 42–52°. There are a spread of Nb–O bond distances ranging from 1.95–2.08 Å. Rh3+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with four equivalent NbO6 octahedra, corners with four equivalent RhO6 octahedra, and edges with two equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 42–50°. There are a spread of Rh–O bond distances ranging from 2.00–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nb5+ and one Rh3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Nb5+ and two equivalent Rh3+ atoms.