Materials Data on K2RuCl5O by Materials Project

Abstract

K2RuOCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.23–3.64 Å. Ru5+ is bonded in a distorted octahedral geometry to one O2- and five Cl1- atoms. The Ru–O bond length is 1.72 Å. There are a spread of Ru–Cl bond distances ranging from 2.36–2.51 Å. O2- is bonded in a single-bond geometry to one Ru5+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Ru5+ atom. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Ru5+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Ru5+ atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Ru5+ atom.