Materials Data on K3LiPb4 by Materials Project

Abstract

K3LiPb4 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two K3LiPb4 ribbons oriented in the (0, 0, 1) direction. there are two inequivalent K sites. In the first K site, K is bonded in a bent 150 degrees geometry to two equivalent Pb atoms. Both K–Pb bond lengths are 3.74 Å. In the second K site, K is bonded in a 1-coordinate geometry to one Pb atom. The K–Pb bond length is 3.55 Å. Li is bonded in a distorted hexagonal planar geometry to six Pb atoms. There are two shorter (3.05 Å) and four longer (3.10 Å) Li–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 2-coordinate geometry to two equivalent Li atoms. In the second Pb site, Pb is bonded in a 3-coordinate geometry to two K and one Li atom.