U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on UFe5Si3 by Materials Project
Abstract
UFe5Si3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight equivalent Fe and eight equivalent Si atoms. All U–Fe bond lengths are 3.06 Å. All U–Si bond lengths are 3.02 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Fe, and four Si atoms. Both Fe–Fe bond lengths are 2.42 Å. There are two shorter (2.28 Å) and two longer (2.42 Å) Fe–Si bond lengths. In the second Fe site, Fe is bonded in a 10-coordinate geometry to eight equivalent Fe and six Si atoms. There are two shorter (2.58 Å) and four longer (2.78 Å) Fe–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to four equivalent U, five Fe, and one Si atom. The Si–Si bond length is 2.38 Å. In the second Si site, Si is bonded in a distorted body-centered cubic geometry to twelve Fe atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-580439
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; UFe5Si3; Fe-Si-U
- OSTI Identifier:
- 1272852
- DOI:
- https://doi.org/10.17188/1272852
Citation Formats
The Materials Project. Materials Data on UFe5Si3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272852.
The Materials Project. Materials Data on UFe5Si3 by Materials Project. United States. doi:https://doi.org/10.17188/1272852
The Materials Project. 2020.
"Materials Data on UFe5Si3 by Materials Project". United States. doi:https://doi.org/10.17188/1272852. https://www.osti.gov/servlets/purl/1272852. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1272852,
title = {Materials Data on UFe5Si3 by Materials Project},
author = {The Materials Project},
abstractNote = {UFe5Si3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight equivalent Fe and eight equivalent Si atoms. All U–Fe bond lengths are 3.06 Å. All U–Si bond lengths are 3.02 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Fe, and four Si atoms. Both Fe–Fe bond lengths are 2.42 Å. There are two shorter (2.28 Å) and two longer (2.42 Å) Fe–Si bond lengths. In the second Fe site, Fe is bonded in a 10-coordinate geometry to eight equivalent Fe and six Si atoms. There are two shorter (2.58 Å) and four longer (2.78 Å) Fe–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to four equivalent U, five Fe, and one Si atom. The Si–Si bond length is 2.38 Å. In the second Si site, Si is bonded in a distorted body-centered cubic geometry to twelve Fe atoms.},
doi = {10.17188/1272852},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}