Materials Data on La5Pb4 by Materials Project
La5Pb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded to six Pb atoms to form a mixture of distorted corner, edge, and face-sharing LaPb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 40–41°. There are a spread of La–Pb bond distances ranging from 3.26–3.47 Å. In the second La site, La is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of La–Pb bond distances ranging from 3.36–4.10 Å. In the third La site, La is bonded to six Pb atoms to form a mixture of corner and face-sharing LaPb6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of La–Pb bond distances ranging from 3.33–3.50 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to eight La and one Pb atom. The Pb–Pb bond length is 3.21 Å. In the second Pb site, Pb is bonded in a 9-coordinate geometry to eight La and one Pb atom. In the third Pb site, Pb is bonded in a 7-coordinate geometry to eight La atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1197118
- Report Number(s):
- mp-21691
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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