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Title: Materials Data on UAl2 by Materials Project

Abstract

UAl2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 1-coordinate geometry to one U and twelve Al atoms. The U–U bond length is 2.62 Å. There are a spread of U–Al bond distances ranging from 3.09–3.34 Å. In the second U site, U is bonded in a 1-coordinate geometry to one U and twelve Al atoms. The U–U bond length is 2.59 Å. There are a spread of U–Al bond distances ranging from 3.08–3.34 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to six U and six Al atoms to form a mixture of corner, edge, and face-sharing AlU6Al6 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.65–2.94 Å. In the second Al site, Al is bonded to six U and six Al atoms to form a mixture of corner, edge, and face-sharing AlU6Al6 cuboctahedra. There are two shorter (2.70 Å) and four longer (2.80 Å) Al–Al bond lengths. In the third Al site, Al is bonded to six U and six Al atoms to formmore » a mixture of corner, edge, and face-sharing AlU6Al6 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-569744
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; UAl2; Al-U
OSTI Identifier:
1275238
DOI:
10.17188/1275238

Citation Formats

The Materials Project. Materials Data on UAl2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275238.
The Materials Project. Materials Data on UAl2 by Materials Project. United States. doi:10.17188/1275238.
The Materials Project. 2020. "Materials Data on UAl2 by Materials Project". United States. doi:10.17188/1275238. https://www.osti.gov/servlets/purl/1275238. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1275238,
title = {Materials Data on UAl2 by Materials Project},
author = {The Materials Project},
abstractNote = {UAl2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 1-coordinate geometry to one U and twelve Al atoms. The U–U bond length is 2.62 Å. There are a spread of U–Al bond distances ranging from 3.09–3.34 Å. In the second U site, U is bonded in a 1-coordinate geometry to one U and twelve Al atoms. The U–U bond length is 2.59 Å. There are a spread of U–Al bond distances ranging from 3.08–3.34 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to six U and six Al atoms to form a mixture of corner, edge, and face-sharing AlU6Al6 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.65–2.94 Å. In the second Al site, Al is bonded to six U and six Al atoms to form a mixture of corner, edge, and face-sharing AlU6Al6 cuboctahedra. There are two shorter (2.70 Å) and four longer (2.80 Å) Al–Al bond lengths. In the third Al site, Al is bonded to six U and six Al atoms to form a mixture of corner, edge, and face-sharing AlU6Al6 cuboctahedra.},
doi = {10.17188/1275238},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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