U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on UFeSi2 by Materials Project
Abstract
UFeSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U6+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of U–Si bond distances ranging from 3.00–3.13 Å. Fe2+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Fe–Si bond distances ranging from 2.23–2.37 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 1-coordinate geometry to six equivalent U6+, one Fe2+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.32 Å. In the second Si4- site, Si4- is bonded in a 12-coordinate geometry to four equivalent U6+, four equivalent Fe2+, and four equivalent Si4- atoms. All Si–Si bond lengths are 2.73 Å.
- Publication Date:
- Other Number(s):
- mp-1206113
- 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; Fe-Si-U; UFeSi2; crystal structure
- OSTI Identifier:
- 1705650
- DOI:
- https://doi.org/10.17188/1705650
Citation Formats
Materials Data on UFeSi2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1705650.
Materials Data on UFeSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1705650
2020.
"Materials Data on UFeSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1705650. https://www.osti.gov/servlets/purl/1705650. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1705650,
title = {Materials Data on UFeSi2 by Materials Project},
abstractNote = {UFeSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U6+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of U–Si bond distances ranging from 3.00–3.13 Å. Fe2+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Fe–Si bond distances ranging from 2.23–2.37 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 1-coordinate geometry to six equivalent U6+, one Fe2+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.32 Å. In the second Si4- site, Si4- is bonded in a 12-coordinate geometry to four equivalent U6+, four equivalent Fe2+, and four equivalent Si4- atoms. All Si–Si bond lengths are 2.73 Å.},
doi = {10.17188/1705650},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}