U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrAu6 by Materials Project
Abstract
PrAu6 is beta Plutonium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to sixteen Au+0.50- atoms. There are a spread of Pr–Au bond distances ranging from 3.20–3.88 Å. There are three inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to three equivalent Pr3+ and nine Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.80–3.36 Å. In the second Au+0.50- site, Au+0.50- is bonded in a 3-coordinate geometry to three equivalent Pr3+ and seven Au+0.50- atoms. There are one shorter (2.81 Å) and two longer (3.03 Å) Au–Au bond lengths. In the third Au+0.50- site, Au+0.50- is bonded in a 2-coordinate geometry to two equivalent Pr3+ and eight Au+0.50- atoms. There are one shorter (2.85 Å) and one longer (2.88 Å) Au–Au bond lengths.
- Publication Date:
- Other Number(s):
- mp-569032
- 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-Pr; PrAu6; crystal structure
- OSTI Identifier:
- 1274905
- DOI:
- https://doi.org/10.17188/1274905
Citation Formats
Materials Data on PrAu6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1274905.
Materials Data on PrAu6 by Materials Project. United States. doi:https://doi.org/10.17188/1274905
2020.
"Materials Data on PrAu6 by Materials Project". United States. doi:https://doi.org/10.17188/1274905. https://www.osti.gov/servlets/purl/1274905. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1274905,
title = {Materials Data on PrAu6 by Materials Project},
abstractNote = {PrAu6 is beta Plutonium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to sixteen Au+0.50- atoms. There are a spread of Pr–Au bond distances ranging from 3.20–3.88 Å. There are three inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to three equivalent Pr3+ and nine Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.80–3.36 Å. In the second Au+0.50- site, Au+0.50- is bonded in a 3-coordinate geometry to three equivalent Pr3+ and seven Au+0.50- atoms. There are one shorter (2.81 Å) and two longer (3.03 Å) Au–Au bond lengths. In the third Au+0.50- site, Au+0.50- is bonded in a 2-coordinate geometry to two equivalent Pr3+ and eight Au+0.50- atoms. There are one shorter (2.85 Å) and one longer (2.88 Å) Au–Au bond lengths.},
doi = {10.17188/1274905},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}