Materials Data on K2HRuCl5 by Materials Project

Abstract

K2RuHCl5 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 3.16–3.62 Å. Ru2+ is bonded in an octahedral geometry to one H1+ and five Cl1- atoms. The Ru–H bond length is 1.60 Å. There are a spread of Ru–Cl bond distances ranging from 2.29–2.58 Å. H1+ is bonded in a single-bond geometry to one Ru2+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent K1+ and one Ru2+ atom to form a mixture of distorted face, edge, and corner-sharing ClK4Ru square pyramids. In the second Cl1- site, Cl1- is bonded to four equivalent K1+ and one Ru2+ atom to form a mixture of face, edge, and corner-sharing ClK4Ru square pyramids. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Ru2+ atom. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Ru2+ atom.