U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ThAu3 by Materials Project
Abstract
ThAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a distorted body-centered cubic geometry to fourteen Au atoms. There are eight shorter (3.06 Å) and six longer (3.54 Å) Th–Au bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded to four equivalent Th and four equivalent Au atoms to form a mixture of distorted edge, corner, and face-sharing AuTh4Au4 tetrahedra. All Au–Au bond lengths are 3.06 Å. In the second Au site, Au is bonded in a 8-coordinate geometry to six equivalent Th and eight equivalent Au atoms.
- Publication Date:
- Other Number(s):
- mp-1187403
- 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-Th; ThAu3; crystal structure
- OSTI Identifier:
- 1736416
- DOI:
- https://doi.org/10.17188/1736416
Citation Formats
Materials Data on ThAu3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1736416.
Materials Data on ThAu3 by Materials Project. United States. doi:https://doi.org/10.17188/1736416
2020.
"Materials Data on ThAu3 by Materials Project". United States. doi:https://doi.org/10.17188/1736416. https://www.osti.gov/servlets/purl/1736416. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1736416,
title = {Materials Data on ThAu3 by Materials Project},
abstractNote = {ThAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a distorted body-centered cubic geometry to fourteen Au atoms. There are eight shorter (3.06 Å) and six longer (3.54 Å) Th–Au bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded to four equivalent Th and four equivalent Au atoms to form a mixture of distorted edge, corner, and face-sharing AuTh4Au4 tetrahedra. All Au–Au bond lengths are 3.06 Å. In the second Au site, Au is bonded in a 8-coordinate geometry to six equivalent Th and eight equivalent Au atoms.},
doi = {10.17188/1736416},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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