Materials Data on K2Os(Cl2O)2 by Materials Project

Abstract

K2Os(OCl2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a body-centered cubic geometry to eight equivalent Cl1- atoms. All K–Cl bond lengths are 3.37 Å. In the second K1+ site, K1+ is bonded in a body-centered cubic geometry to eight equivalent Cl1- atoms. All K–Cl bond lengths are 3.37 Å. There are two inequivalent Os6+ sites. In the first Os6+ site, Os6+ is bonded in a distorted octahedral geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Os–O bond lengths are 1.76 Å. All Os–Cl bond lengths are 2.42 Å. In the second Os6+ site, Os6+ is bonded in a distorted octahedral geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Os–O bond lengths are 1.76 Å. All Os–Cl bond lengths are 2.42 Å. O2- is bonded in a single-bond geometry to one Os6+ atom. Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Os6+ atom.