Materials Data on Rb2CrCl5O by Materials Project

Abstract

Rb2CrOCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to ten Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.42–3.68 Å. Cr5+ is bonded in a distorted octahedral geometry to one O2- and five Cl1- atoms. The Cr–O bond length is 1.60 Å. There are a spread of Cr–Cl bond distances ranging from 2.34–2.50 Å. O2- is bonded in a single-bond geometry to one Cr5+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Cr5+ atom. In the second Cl1- site, Cl1- is bonded to four equivalent Rb1+ and one Cr5+ atom to form distorted corner-sharing ClRb4Cr square pyramids. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Cr5+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Cr5+ atom.