U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on URuS3 by Materials Project
Abstract
URuS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.64–3.01 Å. Ru2+ is bonded to six S2- atoms to form corner-sharing RuS6 octahedra. The corner-sharing octahedra tilt angles range from 43–50°. There are a spread of Ru–S bond distances ranging from 2.40–2.47 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted see-saw-like geometry to two equivalent U4+ and two equivalent Ru2+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U4+ and two equivalent Ru2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1105660
- 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; Ru-S-U; URuS3; crystal structure
- OSTI Identifier:
- 1717218
- DOI:
- https://doi.org/10.17188/1717218
Citation Formats
Materials Data on URuS3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1717218.
Materials Data on URuS3 by Materials Project. United States. doi:https://doi.org/10.17188/1717218
2020.
"Materials Data on URuS3 by Materials Project". United States. doi:https://doi.org/10.17188/1717218. https://www.osti.gov/servlets/purl/1717218. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1717218,
title = {Materials Data on URuS3 by Materials Project},
abstractNote = {URuS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.64–3.01 Å. Ru2+ is bonded to six S2- atoms to form corner-sharing RuS6 octahedra. The corner-sharing octahedra tilt angles range from 43–50°. There are a spread of Ru–S bond distances ranging from 2.40–2.47 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted see-saw-like geometry to two equivalent U4+ and two equivalent Ru2+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U4+ and two equivalent Ru2+ atoms.},
doi = {10.17188/1717218},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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