U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ScCu3 by Materials Project
Abstract
ScCu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted body-centered cubic geometry to fourteen Cu atoms. There are eight shorter (2.64 Å) and six longer (3.05 Å) Sc–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 8-coordinate geometry to six equivalent Sc and eight equivalent Cu atoms. All Cu–Cu bond lengths are 2.64 Å. In the second Cu site, Cu is bonded to four equivalent Sc and four equivalent Cu atoms to form a mixture of distorted edge, face, and corner-sharing CuSc4Cu4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-973100
- 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-Sc; ScCu3; crystal structure
- OSTI Identifier:
- 1314014
- DOI:
- https://doi.org/10.17188/1314014
Citation Formats
Materials Data on ScCu3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314014.
Materials Data on ScCu3 by Materials Project. United States. doi:https://doi.org/10.17188/1314014
2020.
"Materials Data on ScCu3 by Materials Project". United States. doi:https://doi.org/10.17188/1314014. https://www.osti.gov/servlets/purl/1314014. Pub date:Fri Jul 24 04:00:00 UTC 2020
@article{osti_1314014,
title = {Materials Data on ScCu3 by Materials Project},
abstractNote = {ScCu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted body-centered cubic geometry to fourteen Cu atoms. There are eight shorter (2.64 Å) and six longer (3.05 Å) Sc–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 8-coordinate geometry to six equivalent Sc and eight equivalent Cu atoms. All Cu–Cu bond lengths are 2.64 Å. In the second Cu site, Cu is bonded to four equivalent Sc and four equivalent Cu atoms to form a mixture of distorted edge, face, and corner-sharing CuSc4Cu4 tetrahedra.},
doi = {10.17188/1314014},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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