U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaNaBi by Materials Project
Abstract
NaBaBi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Na is bonded to four Bi atoms to form a mixture of distorted edge and corner-sharing NaBi4 tetrahedra. There are two shorter (3.33 Å) and two longer (3.40 Å) Na–Bi bond lengths. Ba is bonded in a 5-coordinate geometry to five Bi atoms. There are one shorter (3.65 Å) and four longer (3.68 Å) Ba–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to six equivalent Na and three equivalent Ba atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to three equivalent Na and six equivalent Ba atoms.
- Publication Date:
- Other Number(s):
- mp-31235
- 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; Ba-Bi-Na; BaNaBi; crystal structure
- OSTI Identifier:
- 1205526
- DOI:
- https://doi.org/10.17188/1205526
Citation Formats
Materials Data on BaNaBi by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205526.
Materials Data on BaNaBi by Materials Project. United States. doi:https://doi.org/10.17188/1205526
2020.
"Materials Data on BaNaBi by Materials Project". United States. doi:https://doi.org/10.17188/1205526. https://www.osti.gov/servlets/purl/1205526. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205526,
title = {Materials Data on BaNaBi by Materials Project},
abstractNote = {NaBaBi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Na is bonded to four Bi atoms to form a mixture of distorted edge and corner-sharing NaBi4 tetrahedra. There are two shorter (3.33 Å) and two longer (3.40 Å) Na–Bi bond lengths. Ba is bonded in a 5-coordinate geometry to five Bi atoms. There are one shorter (3.65 Å) and four longer (3.68 Å) Ba–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to six equivalent Na and three equivalent Ba atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to three equivalent Na and six equivalent Ba atoms.},
doi = {10.17188/1205526},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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