Materials Data on Ce5AgPb3 by Materials Project
Ce5AgPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Ce–Pb bond lengths are 3.48 Å. In the second Ce site, Ce is bonded to two equivalent Ag and five equivalent Pb atoms to form a mixture of distorted edge, face, and corner-sharing CeAg2Pb5 pentagonal bipyramids. Both Ce–Ag bond lengths are 3.21 Å. There are a spread of Ce–Pb bond distances ranging from 3.27–3.42 Å. Ag is bonded to six equivalent Ce atoms to form distorted face-sharing AgCe6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Ce 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:
- 1687174
- Report Number(s):
- mp-1106401
- Country of Publication:
- United States
- Language:
- English
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