U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaBiAu4 by Materials Project
Abstract
CaAu4Bi is beta-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca2+ is bonded in a 12-coordinate geometry to twelve equivalent Au1- atoms. All Ca–Au bond lengths are 3.35 Å. Au1- is bonded to three equivalent Ca2+, six equivalent Au1-, and three equivalent Bi2+ atoms to form a mixture of face, edge, and corner-sharing AuCa3Bi3Au6 cuboctahedra. There are three shorter (2.85 Å) and three longer (2.86 Å) Au–Au bond lengths. All Au–Bi bond lengths are 3.35 Å. Bi2+ is bonded in a 12-coordinate geometry to twelve equivalent Au1- atoms.
- Publication Date:
- Other Number(s):
- mp-1213974
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Au-Bi-Ca; CaBiAu4; crystal structure
- OSTI Identifier:
- 1718410
- DOI:
- https://doi.org/10.17188/1718410
Citation Formats
Materials Data on CaBiAu4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1718410.
Materials Data on CaBiAu4 by Materials Project. United States. doi:https://doi.org/10.17188/1718410
2020.
"Materials Data on CaBiAu4 by Materials Project". United States. doi:https://doi.org/10.17188/1718410. https://www.osti.gov/servlets/purl/1718410. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1718410,
title = {Materials Data on CaBiAu4 by Materials Project},
abstractNote = {CaAu4Bi is beta-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca2+ is bonded in a 12-coordinate geometry to twelve equivalent Au1- atoms. All Ca–Au bond lengths are 3.35 Å. Au1- is bonded to three equivalent Ca2+, six equivalent Au1-, and three equivalent Bi2+ atoms to form a mixture of face, edge, and corner-sharing AuCa3Bi3Au6 cuboctahedra. There are three shorter (2.85 Å) and three longer (2.86 Å) Au–Au bond lengths. All Au–Bi bond lengths are 3.35 Å. Bi2+ is bonded in a 12-coordinate geometry to twelve equivalent Au1- atoms.},
doi = {10.17188/1718410},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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