Materials Data on La5Pb3S by Materials Project
La5Pb3S 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 in a 7-coordinate geometry to five equivalent Pb and two equivalent S atoms. There are a spread of La–Pb bond distances ranging from 3.37–3.89 Å. Both La–S bond lengths are 2.93 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 3.46 Å. Pb is bonded in a 9-coordinate geometry to nine La atoms. S is bonded to six equivalent La atoms to form face-sharing SLa6 octahedra.
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