Materials Data on Rh2O3 by Materials Project

Abstract

Rh2O3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Rh2O3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (1.98 Å) and two longer (2.13 Å) Rh–O bond lengths. In the second Rh3+ site, Rh3+ is bonded to six O2- atoms to form edge-sharing RhO6 octahedra. There are a spread of Rh–O bond distances ranging from 2.00–2.14 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Rh3+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four Rh3+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Rh3+ atoms.