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Title: Materials Data on U(Al2Cu)4 by Materials Project

Abstract

UCu4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All U–Cu bond lengths are 3.37 Å. There are four shorter (3.06 Å) and eight longer (3.18 Å) U–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent U, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.54 Å. There are four shorter (2.56 Å) and four longer (2.68 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one U, four equivalent Cu, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.85 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Cu, and four equivalent Al atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7248
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; U(Al2Cu)4; Al-Cu-U
OSTI Identifier:
1287618
DOI:
10.17188/1287618

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on U(Al2Cu)4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1287618.
Persson, Kristin, & Project, Materials. Materials Data on U(Al2Cu)4 by Materials Project. United States. doi:10.17188/1287618.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on U(Al2Cu)4 by Materials Project". United States. doi:10.17188/1287618. https://www.osti.gov/servlets/purl/1287618. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1287618,
title = {Materials Data on U(Al2Cu)4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {UCu4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All U–Cu bond lengths are 3.37 Å. There are four shorter (3.06 Å) and eight longer (3.18 Å) U–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent U, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.54 Å. There are four shorter (2.56 Å) and four longer (2.68 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one U, four equivalent Cu, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.85 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Cu, and four equivalent Al atoms.},
doi = {10.17188/1287618},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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