Materials Data on La5SbPb3 by Materials Project

Abstract

La5Pb3Sb 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 five equivalent Pb and two equivalent Sb atoms to form a mixture of distorted face, edge, and corner-sharing LaSb2Pb5 pentagonal bipyramids. There are a spread of La–Pb bond distances ranging from 3.42–3.82 Å. Both La–Sb bond lengths are 3.15 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 3.55 Å. Pb is bonded in a 9-coordinate geometry to nine La atoms. Sb is bonded to six equivalent La atoms to form face-sharing SbLa6 octahedra.