Materials Data on La5Pb3O by Materials Project

Abstract

La5Pb3O crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a distorted single-bond geometry to five Pb and one O atom. There are a spread of La–Pb bond distances ranging from 3.38–3.66 Å. The La–O bond length is 2.38 Å. In the second La site, La is bonded in a distorted single-bond geometry to five Pb and one O atom. There are a spread of La–Pb bond distances ranging from 3.37–3.65 Å. The La–O bond length is 2.38 Å. In the third La site, La is bonded to six Pb atoms to form distorted corner-sharing LaPb6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are a spread of La–Pb bond distances ranging from 3.38–3.81 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 8-coordinate geometry to eight La atoms. In the second Pb site, Pb is bonded in a 10-coordinate geometry to ten La atoms. O is bonded in a tetrahedral geometry to four La atoms.