Materials Data on La5AgPb3 by Materials Project

Abstract

La5AgPb3 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 Ag and five equivalent Pb atoms to form a mixture of distorted edge, face, and corner-sharing LaAg2Pb5 pentagonal bipyramids. Both La–Ag bond lengths are 3.21 Å. There are a spread of La–Pb bond distances ranging from 3.34–3.64 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 3.56 Å. Ag is bonded to six equivalent La atoms to form face-sharing AgLa6 octahedra. Pb is bonded in a 9-coordinate geometry to nine La atoms.