Materials Data on K5InPb8 by Materials Project

Abstract

KK4InPb8 crystallizes in the trigonal R-3m space group. The structure is three-dimensional and consists of three potassium molecules and one K4InPb8 framework. In the K4InPb8 framework, there are two inequivalent K sites. In the first K site, K is bonded in a 9-coordinate geometry to nine equivalent Pb atoms. There are three shorter (3.82 Å) and six longer (4.05 Å) K–Pb bond lengths. In the second K site, K is bonded in a 1-coordinate geometry to seven Pb atoms. There are one shorter (3.56 Å) and six longer (3.99 Å) K–Pb bond lengths. In is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All In–Pb bond lengths are 3.22 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to five K, one In, and three Pb atoms. There are one shorter (3.11 Å) and two longer (3.35 Å) Pb–Pb bond lengths. In the second Pb site, Pb is bonded in a distorted single-bond geometry to one K and three equivalent Pb atoms.