Materials Data on K2RuI5NO by Materials Project

Abstract

K2RuNOI5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten I1- atoms. There are a spread of K–I bond distances ranging from 3.73–4.29 Å. Ru2+ is bonded in a distorted octahedral geometry to one N3+ and five I1- atoms. The Ru–N bond length is 1.74 Å. All Ru–I bond lengths are 2.76 Å. N3+ is bonded in a distorted linear geometry to one Ru2+ and one O2- atom. The N–O bond length is 1.17 Å. O2- is bonded in a single-bond geometry to one N3+ and four I1- atoms. There are a spread of O–I bond distances ranging from 3.53–3.80 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Ru2+ atom. In the second I1- site, I1- is bonded in a 5-coordinate geometry to four equivalent K1+, one Ru2+, and one O2- atom. In the third I1- site, I1- is bonded in a 6-coordinate geometry to four equivalent K1+, one Ru2+, and one O2- atom. In the fourth I1- site, I1- is bonded in a 6-coordinate geometry to four equivalent K1+, one Ru2+, and one O2- atom.