U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrCu5 by Materials Project
Abstract
Cu5Zr crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to sixteen Cu atoms. There are twelve shorter (2.84 Å) and four longer (2.96 Å) Zr–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 4-coordinate geometry to four equivalent Zr and twelve equivalent Cu atoms. All Cu–Cu bond lengths are 2.83 Å. In the second Cu site, Cu is bonded to three equivalent Zr and nine Cu atoms to form a mixture of distorted face, edge, and corner-sharing CuZr3Cu9 cuboctahedra. There are three shorter (2.41 Å) and three longer (2.43 Å) Cu–Cu bond lengths.
- Publication Date:
- Other Number(s):
- mp-30603
- 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; Cu-Zr; ZrCu5; crystal structure
- OSTI Identifier:
- 1204990
- DOI:
- https://doi.org/10.17188/1204990
Citation Formats
Materials Data on ZrCu5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204990.
Materials Data on ZrCu5 by Materials Project. United States. doi:https://doi.org/10.17188/1204990
2020.
"Materials Data on ZrCu5 by Materials Project". United States. doi:https://doi.org/10.17188/1204990. https://www.osti.gov/servlets/purl/1204990. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204990,
title = {Materials Data on ZrCu5 by Materials Project},
abstractNote = {Cu5Zr crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to sixteen Cu atoms. There are twelve shorter (2.84 Å) and four longer (2.96 Å) Zr–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 4-coordinate geometry to four equivalent Zr and twelve equivalent Cu atoms. All Cu–Cu bond lengths are 2.83 Å. In the second Cu site, Cu is bonded to three equivalent Zr and nine Cu atoms to form a mixture of distorted face, edge, and corner-sharing CuZr3Cu9 cuboctahedra. There are three shorter (2.41 Å) and three longer (2.43 Å) Cu–Cu bond lengths.},
doi = {10.17188/1204990},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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