Materials Data on Sm5Pb4 by Materials Project
Sm5Pb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded to six Pb atoms to form a mixture of distorted corner, edge, and face-sharing SmPb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of Sm–Pb bond distances ranging from 3.18–3.37 Å. In the second Sm site, Sm is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Sm–Pb bond distances ranging from 3.23–3.98 Å. In the third Sm site, Sm is bonded to six Pb atoms to form a mixture of corner and face-sharing SmPb6 octahedra. The corner-sharing octahedra tilt angles range from 47–51°. There are a spread of Sm–Pb bond distances ranging from 3.21–3.34 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to eight Sm atoms. In the second Pb site, Pb is bonded in a 7-coordinate geometry to eight Sm atoms. In the third Pb site, Pb is bonded in a 9-coordinate geometry to eight Sm atoms.
- 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:
- 1653373
- Report Number(s):
- mp-1200672
- Country of Publication:
- United States
- Language:
- English
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