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Title: Materials Data on U(Al2Fe)4 by Materials Project

Abstract

UFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All U–Fe bond lengths are 3.31 Å. There are four shorter (2.97 Å) and eight longer (3.14 Å) U–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent U, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.50 Å. There are four shorter (2.52 Å) and four longer (2.63 Å) Fe–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Fe, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.68–2.80 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one U, four equivalent Fe, and five Al atoms. The Al–Al bond length is 2.73 Å.

Authors:
Publication Date:
Other Number(s):
mp-4606
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; U(Al2Fe)4; Al-Fe-U
OSTI Identifier:
1208286
DOI:
https://doi.org/10.17188/1208286

Citation Formats

The Materials Project. Materials Data on U(Al2Fe)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208286.
The Materials Project. Materials Data on U(Al2Fe)4 by Materials Project. United States. doi:https://doi.org/10.17188/1208286
The Materials Project. 2020. "Materials Data on U(Al2Fe)4 by Materials Project". United States. doi:https://doi.org/10.17188/1208286. https://www.osti.gov/servlets/purl/1208286. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1208286,
title = {Materials Data on U(Al2Fe)4 by Materials Project},
author = {The Materials Project},
abstractNote = {UFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All U–Fe bond lengths are 3.31 Å. There are four shorter (2.97 Å) and eight longer (3.14 Å) U–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent U, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.50 Å. There are four shorter (2.52 Å) and four longer (2.63 Å) Fe–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Fe, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.68–2.80 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one U, four equivalent Fe, and five Al atoms. The Al–Al bond length is 2.73 Å.},
doi = {10.17188/1208286},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}