U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PaAu3 by Materials Project
Abstract
PaAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa3+ is bonded in a distorted body-centered cubic geometry to fourteen Au1- atoms. There are eight shorter (3.01 Å) and six longer (3.47 Å) Pa–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to four equivalent Pa3+ and four equivalent Au1- atoms to form a mixture of distorted corner, edge, and face-sharing AuPa4Au4 tetrahedra. All Au–Au bond lengths are 3.01 Å. In the second Au1- site, Au1- is bonded in a 8-coordinate geometry to six equivalent Pa3+ and eight equivalent Au1- atoms.
- Publication Date:
- Other Number(s):
- mp-865858
- 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; Au-Pa; PaAu3; crystal structure
- OSTI Identifier:
- 1311039
- DOI:
- https://doi.org/10.17188/1311039
Citation Formats
Materials Data on PaAu3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1311039.
Materials Data on PaAu3 by Materials Project. United States. doi:https://doi.org/10.17188/1311039
2020.
"Materials Data on PaAu3 by Materials Project". United States. doi:https://doi.org/10.17188/1311039. https://www.osti.gov/servlets/purl/1311039. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1311039,
title = {Materials Data on PaAu3 by Materials Project},
abstractNote = {PaAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa3+ is bonded in a distorted body-centered cubic geometry to fourteen Au1- atoms. There are eight shorter (3.01 Å) and six longer (3.47 Å) Pa–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to four equivalent Pa3+ and four equivalent Au1- atoms to form a mixture of distorted corner, edge, and face-sharing AuPa4Au4 tetrahedra. All Au–Au bond lengths are 3.01 Å. In the second Au1- site, Au1- is bonded in a 8-coordinate geometry to six equivalent Pa3+ and eight equivalent Au1- atoms.},
doi = {10.17188/1311039},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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