U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pu2US5 by Materials Project
Abstract
Pu2US5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pu3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pu–S bond distances ranging from 2.75–2.93 Å. U4+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of U–S bond distances ranging from 2.61–2.78 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Pu3+ and two equivalent U4+ atoms. In the second S2- site, S2- is bonded to four equivalent Pu3+ and one U4+ atom to form a mixture of distorted corner and edge-sharing SPu4U trigonal bipyramids. In the third S2- site, S2- is bonded to four equivalent Pu3+ and one U4+ atom to form a mixture of corner, edge, and face-sharing SPu4U square pyramids. In the fourth S2- site, S2- is bonded to four equivalent Pu3+ and one U4+ atom to form a mixture of distorted corner, edge, and face-sharing SPu4U square pyramids.
- Publication Date:
- Other Number(s):
- mp-1202803
- 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; Pu-S-U; Pu2US5; crystal structure
- OSTI Identifier:
- 1698617
- DOI:
- https://doi.org/10.17188/1698617
Citation Formats
Materials Data on Pu2US5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1698617.
Materials Data on Pu2US5 by Materials Project. United States. doi:https://doi.org/10.17188/1698617
2020.
"Materials Data on Pu2US5 by Materials Project". United States. doi:https://doi.org/10.17188/1698617. https://www.osti.gov/servlets/purl/1698617. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1698617,
title = {Materials Data on Pu2US5 by Materials Project},
abstractNote = {Pu2US5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pu3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pu–S bond distances ranging from 2.75–2.93 Å. U4+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of U–S bond distances ranging from 2.61–2.78 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Pu3+ and two equivalent U4+ atoms. In the second S2- site, S2- is bonded to four equivalent Pu3+ and one U4+ atom to form a mixture of distorted corner and edge-sharing SPu4U trigonal bipyramids. In the third S2- site, S2- is bonded to four equivalent Pu3+ and one U4+ atom to form a mixture of corner, edge, and face-sharing SPu4U square pyramids. In the fourth S2- site, S2- is bonded to four equivalent Pu3+ and one U4+ atom to form a mixture of distorted corner, edge, and face-sharing SPu4U square pyramids.},
doi = {10.17188/1698617},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}