U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on U2Si3Pd by Materials Project
Abstract
U2PdSi3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent U5+ sites. In the first U5+ site, U5+ is bonded in a distorted q4 geometry to ten Si4- atoms. There are a spread of U–Si bond distances ranging from 2.96–3.06 Å. In the second U5+ site, U5+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are a spread of U–Si bond distances ranging from 2.98–3.17 Å. Pd2+ is bonded in a trigonal planar geometry to three Si4- atoms. All Pd–Si bond lengths are 2.42 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six U5+ and three Si4- atoms. There are one shorter (2.33 Å) and two longer (2.36 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 2-coordinate geometry to six U5+, two equivalent Pd2+, and one Si4- atom. In the third Si4- site, Si4- is bonded in a 1-coordinate geometry to six U5+, one Pd2+, and two equivalent Si4- atoms.
- Publication Date:
- Other Number(s):
- mp-1216905
- 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; Pd-Si-U; U2Si3Pd; crystal structure
- OSTI Identifier:
- 1723977
- DOI:
- https://doi.org/10.17188/1723977
Citation Formats
Materials Data on U2Si3Pd by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1723977.
Materials Data on U2Si3Pd by Materials Project. United States. doi:https://doi.org/10.17188/1723977
2019.
"Materials Data on U2Si3Pd by Materials Project". United States. doi:https://doi.org/10.17188/1723977. https://www.osti.gov/servlets/purl/1723977. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1723977,
title = {Materials Data on U2Si3Pd by Materials Project},
abstractNote = {U2PdSi3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent U5+ sites. In the first U5+ site, U5+ is bonded in a distorted q4 geometry to ten Si4- atoms. There are a spread of U–Si bond distances ranging from 2.96–3.06 Å. In the second U5+ site, U5+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are a spread of U–Si bond distances ranging from 2.98–3.17 Å. Pd2+ is bonded in a trigonal planar geometry to three Si4- atoms. All Pd–Si bond lengths are 2.42 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six U5+ and three Si4- atoms. There are one shorter (2.33 Å) and two longer (2.36 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 2-coordinate geometry to six U5+, two equivalent Pd2+, and one Si4- atom. In the third Si4- site, Si4- is bonded in a 1-coordinate geometry to six U5+, one Pd2+, and two equivalent Si4- atoms.},
doi = {10.17188/1723977},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}