Materials Data on La5CuPb3 by Materials Project

Abstract

La5CuPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to two equivalent Cu and five equivalent Pb atoms to form a mixture of distorted corner, edge, and face-sharing LaCu2Pb5 pentagonal bipyramids. Both La–Cu bond lengths are 3.04 Å. There are a spread of La–Pb bond distances ranging from 3.37–3.83 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All La–Pb bond lengths are 3.49 Å. Cu is bonded to six equivalent La atoms to form face-sharing CuLa6 octahedra. Pb is bonded in a 9-coordinate geometry to nine La atoms.