Materials Data on La5ZnPb3 by Materials Project

Abstract

La5ZnPb3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded to two equivalent Zn and five Pb atoms to form a mixture of distorted edge, corner, and face-sharing LaZn2Pb5 pentagonal bipyramids. Both La–Zn bond lengths are 3.17 Å. There are a spread of La–Pb bond distances ranging from 3.32–3.63 Å. In the second La site, La is bonded to two equivalent Zn and five Pb atoms to form a mixture of distorted edge, corner, and face-sharing LaZn2Pb5 pentagonal bipyramids. Both La–Zn bond lengths are 3.16 Å. There are a spread of La–Pb bond distances ranging from 3.32–3.63 Å. In the third La site, La is bonded in a 6-coordinate geometry to six Pb atoms. There are four shorter (3.53 Å) and two longer (3.55 Å) La–Pb bond lengths. Zn is bonded to six La atoms to form face-sharing ZnLa6 octahedra. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to nine La atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to nine La atoms.