U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AlCu4 by Materials Project
Abstract
AlCu4 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to nine Cu and three equivalent Al atoms. There are a spread of Cu–Cu bond distances ranging from 2.53–2.67 Å. There are a spread of Cu–Al bond distances ranging from 2.56–2.68 Å. In the second Cu site, Cu is bonded in a 3-coordinate geometry to nine equivalent Cu and three equivalent Al atoms. All Cu–Al bond lengths are 2.36 Å. Al is bonded to twelve Cu atoms to form a mixture of distorted corner and face-sharing AlCu12 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1182885
- 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; Al-Cu; AlCu4; crystal structure
- OSTI Identifier:
- 1716471
- DOI:
- https://doi.org/10.17188/1716471
Citation Formats
Materials Data on AlCu4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1716471.
Materials Data on AlCu4 by Materials Project. United States. doi:https://doi.org/10.17188/1716471
2020.
"Materials Data on AlCu4 by Materials Project". United States. doi:https://doi.org/10.17188/1716471. https://www.osti.gov/servlets/purl/1716471. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1716471,
title = {Materials Data on AlCu4 by Materials Project},
abstractNote = {AlCu4 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to nine Cu and three equivalent Al atoms. There are a spread of Cu–Cu bond distances ranging from 2.53–2.67 Å. There are a spread of Cu–Al bond distances ranging from 2.56–2.68 Å. In the second Cu site, Cu is bonded in a 3-coordinate geometry to nine equivalent Cu and three equivalent Al atoms. All Cu–Al bond lengths are 2.36 Å. Al is bonded to twelve Cu atoms to form a mixture of distorted corner and face-sharing AlCu12 cuboctahedra.},
doi = {10.17188/1716471},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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