Materials Data on Rh2O3 by Materials Project

Abstract

Rh2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded to six O2- atoms to form a mixture of corner, edge, and face-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 46–64°. There are a spread of Rh–O bond distances ranging from 2.04–2.09 Å. In the second Rh3+ site, Rh3+ is bonded to six O2- atoms to form a mixture of corner, edge, and face-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 49–70°. There are a spread of Rh–O bond distances ranging from 2.05–2.17 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Rh3+ atoms to form a mixture of distorted corner and edge-sharing ORh4 trigonal pyramids. In the second O2- site, O2- is bonded to four Rh3+ atoms to form a mixture of distorted corner and edge-sharing ORh4 trigonal pyramids. In the third O2- site, O2- is bonded to four Rh3+ atoms to form a mixture of distorted corner and edge-sharing ORh4 tetrahedra.