Materials Data on K2CuPb(NO2)6 by Materials Project

Abstract

K2PbCu(NO2)6 crystallizes in the cubic F23 space group. The structure is three-dimensional and consists of four copper molecules and one K2Pb(NO2)6 framework. In the K2Pb(NO2)6 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to twelve equivalent O2- atoms to form edge-sharing KO12 cuboctahedra. All K–O bond lengths are 2.92 Å. In the second K1+ site, K1+ is bonded to twelve equivalent O2- atoms to form edge-sharing KO12 cuboctahedra. All K–O bond lengths are 3.21 Å. Pb2+ is bonded in a distorted q6 geometry to twelve equivalent O2- atoms. All Pb–O bond lengths are 2.72 Å. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.26 Å. O2- is bonded in a distorted single-bond geometry to two K1+, one Pb2+, and one N3+ atom.