U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaAg5 by Materials Project
Abstract
BaAg5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ba is bonded in a 6-coordinate geometry to eighteen Ag atoms. There are six shorter (3.46 Å) and twelve longer (3.77 Å) Ba–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to three equivalent Ba and six equivalent Ag atoms. All Ag–Ag bond lengths are 2.87 Å. In the second Ag site, Ag is bonded to four equivalent Ba and eight Ag atoms to form a mixture of edge, face, and corner-sharing AgBa4Ag8 cuboctahedra. All Ag–Ag bond lengths are 2.99 Å.
- Publication Date:
- Other Number(s):
- mp-1814
- 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-Ba; BaAg5; crystal structure
- OSTI Identifier:
- 1192927
- DOI:
- https://doi.org/10.17188/1192927
Citation Formats
Materials Data on BaAg5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192927.
Materials Data on BaAg5 by Materials Project. United States. doi:https://doi.org/10.17188/1192927
2020.
"Materials Data on BaAg5 by Materials Project". United States. doi:https://doi.org/10.17188/1192927. https://www.osti.gov/servlets/purl/1192927. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1192927,
title = {Materials Data on BaAg5 by Materials Project},
abstractNote = {BaAg5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ba is bonded in a 6-coordinate geometry to eighteen Ag atoms. There are six shorter (3.46 Å) and twelve longer (3.77 Å) Ba–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to three equivalent Ba and six equivalent Ag atoms. All Ag–Ag bond lengths are 2.87 Å. In the second Ag site, Ag is bonded to four equivalent Ba and eight Ag atoms to form a mixture of edge, face, and corner-sharing AgBa4Ag8 cuboctahedra. All Ag–Ag bond lengths are 2.99 Å.},
doi = {10.17188/1192927},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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