Materials Data on K5Bi4 by Materials Project

Abstract

K5Bi4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of K–Bi bond distances ranging from 3.78–3.87 Å. In the second K site, K is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of K–Bi bond distances ranging from 3.81–3.88 Å. In the third K site, K is bonded in a distorted square co-planar geometry to four equivalent Bi atoms. All K–Bi bond lengths are 3.61 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to seven K and two Bi atoms. There are one shorter (3.01 Å) and one longer (3.05 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a 9-coordinate geometry to eight K and one Bi atom.