Materials Data on AsRhO4 by Materials Project

Abstract

RhAsO4 is Hydrophilite-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Rh3+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with four equivalent RhO6 octahedra, corners with four equivalent AsO6 octahedra, and edges with two equivalent AsO6 octahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are a spread of Rh–O bond distances ranging from 1.99–2.06 Å. As5+ is bonded to six O2- atoms to form AsO6 octahedra that share corners with four equivalent RhO6 octahedra, corners with four equivalent AsO6 octahedra, and edges with two equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are a spread of As–O bond distances ranging from 1.85–1.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Rh3+ and two equivalent As5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Rh3+ and one As5+ atom.