Materials Data on PbAu2 by Materials Project
Au2Pb is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to six Au1- and six equivalent Pb2+ atoms to form a mixture of distorted corner, edge, and face-sharing AuPb6Au6 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.85–2.93 Å. There are a spread of Au–Pb bond distances ranging from 3.23–3.47 Å. In the second Au1- site, Au1- is bonded in a 11-coordinate geometry to six Au1- and five equivalent Pb2+ atoms. There are a spread of Au–Au bond distances ranging from 2.87–2.94 Å. There are a spread of Au–Pb bond distances ranging from 3.20–3.53 Å. In the third Au1- site, Au1- is bonded to six Au1- and six equivalent Pb2+ atoms to form a mixture of corner, edge, and face-sharing AuPb6Au6 cuboctahedra. There are a spread of Au–Pb bond distances ranging from 3.32–3.42 Å. Pb2+ is bonded in a 4-coordinate geometry to eleven Au1- 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:
- 1743962
- Report Number(s):
- mp-1190478
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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