U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PuHg3 by Materials Project
Abstract
PuHg3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu is bonded in a distorted body-centered cubic geometry to fourteen Hg atoms. There are eight shorter (3.19 Å) and six longer (3.68 Å) Pu–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted body-centered cubic geometry to four equivalent Pu and four equivalent Hg atoms. All Hg–Hg bond lengths are 3.19 Å. In the second Hg site, Hg is bonded in a 8-coordinate geometry to six equivalent Pu and eight equivalent Hg atoms.
- Publication Date:
- Other Number(s):
- mp-1186792
- 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; Hg-Pu; PuHg3; crystal structure
- OSTI Identifier:
- 1664219
- DOI:
- https://doi.org/10.17188/1664219
Citation Formats
Materials Data on PuHg3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1664219.
Materials Data on PuHg3 by Materials Project. United States. doi:https://doi.org/10.17188/1664219
2020.
"Materials Data on PuHg3 by Materials Project". United States. doi:https://doi.org/10.17188/1664219. https://www.osti.gov/servlets/purl/1664219. Pub date:Fri Jul 24 04:00:00 UTC 2020
@article{osti_1664219,
title = {Materials Data on PuHg3 by Materials Project},
abstractNote = {PuHg3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu is bonded in a distorted body-centered cubic geometry to fourteen Hg atoms. There are eight shorter (3.19 Å) and six longer (3.68 Å) Pu–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted body-centered cubic geometry to four equivalent Pu and four equivalent Hg atoms. All Hg–Hg bond lengths are 3.19 Å. In the second Hg site, Hg is bonded in a 8-coordinate geometry to six equivalent Pu and eight equivalent Hg atoms.},
doi = {10.17188/1664219},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 24 04:00:00 UTC 2020},
month = {Fri Jul 24 04:00:00 UTC 2020}
}
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