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.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1651567
- Report Number(s):
- mp-1188606
- Country of Publication:
- United States
- Language:
- English
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