U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ScAg3 by Materials Project
Abstract
ScAg3 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 Ag atoms. There are eight shorter (2.91 Å) and six longer (3.36 Å) Sc–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent Sc and four equivalent Ag atoms to form a mixture of distorted corner, edge, and face-sharing AgSc4Ag4 tetrahedra. All Ag–Ag bond lengths are 2.91 Å. In the second Ag site, Ag is bonded in a 8-coordinate geometry to six equivalent Sc and eight equivalent Ag atoms.
- Publication Date:
- Other Number(s):
- mp-1186973
- 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; Ag-Sc; ScAg3; crystal structure
- OSTI Identifier:
- 1717123
- DOI:
- https://doi.org/10.17188/1717123
Citation Formats
Materials Data on ScAg3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1717123.
Materials Data on ScAg3 by Materials Project. United States. doi:https://doi.org/10.17188/1717123
2020.
"Materials Data on ScAg3 by Materials Project". United States. doi:https://doi.org/10.17188/1717123. https://www.osti.gov/servlets/purl/1717123. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1717123,
title = {Materials Data on ScAg3 by Materials Project},
abstractNote = {ScAg3 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 Ag atoms. There are eight shorter (2.91 Å) and six longer (3.36 Å) Sc–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent Sc and four equivalent Ag atoms to form a mixture of distorted corner, edge, and face-sharing AgSc4Ag4 tetrahedra. All Ag–Ag bond lengths are 2.91 Å. In the second Ag site, Ag is bonded in a 8-coordinate geometry to six equivalent Sc and eight equivalent Ag atoms.},
doi = {10.17188/1717123},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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