Materials Data on Cs2RhCl5O by Materials Project

Abstract

Cs2RhOCl5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 11-coordinate geometry to two equivalent O and nine Cl atoms. Both Cs–O bond lengths are 3.76 Å. There are a spread of Cs–Cl bond distances ranging from 3.55–3.93 Å. In the second Cs site, Cs is bonded in a 10-coordinate geometry to ten Cl atoms. There are a spread of Cs–Cl bond distances ranging from 3.66–3.81 Å. Rh is bonded in an octahedral geometry to one O and five Cl atoms. The Rh–O bond length is 1.79 Å. There are four shorter (2.38 Å) and one longer (2.42 Å) Rh–Cl bond lengths. O is bonded in a single-bond geometry to two equivalent Cs and one Rh atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to three Cs and one Rh atom. In the second Cl site, Cl is bonded in a 5-coordinate geometry to four Cs and one Rh atom.