Materials Data on KOsBr4NO2 by Materials Project

Abstract

KOsNO2(Br)4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of sixteen hydrobromic acid molecules and two KOsNO2 ribbons oriented in the (0, 0, 1) direction. In each KOsNO2 ribbon, K1+ is bonded in a distorted rectangular see-saw-like geometry to one N3- and three O2- atoms. The K–N bond length is 3.18 Å. There are a spread of K–O bond distances ranging from 2.81–2.91 Å. Os4+ is bonded in a linear geometry to one N3- and one O2- atom. The Os–N bond length is 1.69 Å. The Os–O bond length is 2.06 Å. N3- is bonded in a distorted single-bond geometry to one K1+ and one Os4+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one K1+ and one Os4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent K1+ atoms.