Materials Data on KOsN(Cl2O)2 by Materials Project

Abstract

KOsN(OCl2)2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to three O2- and four Cl1- atoms. There are a spread of K–O bond distances ranging from 2.75–3.08 Å. There are two shorter (3.39 Å) and two longer (3.67 Å) K–Cl bond lengths. Os2+ is bonded in a distorted octahedral geometry to one N5+, one O2-, and four Cl1- atoms. The Os–N bond length is 1.69 Å. The Os–O bond length is 2.01 Å. There are two shorter (2.31 Å) and two longer (2.39 Å) Os–Cl bond lengths. N5+ is bonded in a single-bond geometry to one Os2+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and one Os2+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Cl1- atoms. Both O–Cl bond lengths are 2.44 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one K1+ and one Os2+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one K1+, one Os2+, and one O2- atom.