Materials Data on La5BPb3 by Materials Project
La5BPb3 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 6-coordinate geometry to six equivalent Pb atoms. All La–Pb bond lengths are 3.42 Å. In the second La site, La is bonded in a 7-coordinate geometry to two equivalent B and five equivalent Pb atoms. Both La–B bond lengths are 2.79 Å. There are a spread of La–Pb bond distances ranging from 3.44–3.85 Å. B is bonded to six equivalent La atoms to form face-sharing BLa6 octahedra. Pb is bonded in a 9-coordinate geometry to nine La atoms.
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