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Title: Materials Data on U(AlAu)2 by Materials Project

Abstract

UAu2Al2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eight Au and eight Al atoms. There are four shorter (3.31 Å) and four longer (3.38 Å) U–Au bond lengths. There are four shorter (3.29 Å) and four longer (3.41 Å) U–Al bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded to four equivalent U and four equivalent Al atoms to form distorted AuU4Al4 tetrahedra that share corners with twelve equivalent AlU4Au4 tetrahedra, edges with two equivalent AlU4Au4 tetrahedra, edges with four equivalent AuU4Al4 tetrahedra, and faces with four equivalent AuU4Al4 tetrahedra. All Au–Al bond lengths are 2.58 Å. In the second Au site, Au is bonded in a 5-coordinate geometry to four equivalent U and five Al atoms. There are one shorter (2.44 Å) and four longer (2.57 Å) Au–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent U and four equivalent Au atoms to form AlU4Au4 tetrahedra that share corners with twelve equivalent AuU4Al4 tetrahedra, edges with two equivalent AuU4Al4 tetrahedra, edges with four equivalent AlU4Au4 tetrahedra, and faces withmore » four equivalent AlU4Au4 tetrahedra. In the second Al site, Al is bonded in a 5-coordinate geometry to four equivalent U and five Au atoms.« less

Publication Date:
Other Number(s):
mp-1080079
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(AlAu)2; Al-Au-U
OSTI Identifier:
1651680
DOI:
https://doi.org/10.17188/1651680

Citation Formats

The Materials Project. Materials Data on U(AlAu)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651680.
The Materials Project. Materials Data on U(AlAu)2 by Materials Project. United States. doi:https://doi.org/10.17188/1651680
The Materials Project. 2020. "Materials Data on U(AlAu)2 by Materials Project". United States. doi:https://doi.org/10.17188/1651680. https://www.osti.gov/servlets/purl/1651680. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1651680,
title = {Materials Data on U(AlAu)2 by Materials Project},
author = {The Materials Project},
abstractNote = {UAu2Al2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eight Au and eight Al atoms. There are four shorter (3.31 Å) and four longer (3.38 Å) U–Au bond lengths. There are four shorter (3.29 Å) and four longer (3.41 Å) U–Al bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded to four equivalent U and four equivalent Al atoms to form distorted AuU4Al4 tetrahedra that share corners with twelve equivalent AlU4Au4 tetrahedra, edges with two equivalent AlU4Au4 tetrahedra, edges with four equivalent AuU4Al4 tetrahedra, and faces with four equivalent AuU4Al4 tetrahedra. All Au–Al bond lengths are 2.58 Å. In the second Au site, Au is bonded in a 5-coordinate geometry to four equivalent U and five Al atoms. There are one shorter (2.44 Å) and four longer (2.57 Å) Au–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent U and four equivalent Au atoms to form AlU4Au4 tetrahedra that share corners with twelve equivalent AuU4Al4 tetrahedra, edges with two equivalent AuU4Al4 tetrahedra, edges with four equivalent AlU4Au4 tetrahedra, and faces with four equivalent AlU4Au4 tetrahedra. In the second Al site, Al is bonded in a 5-coordinate geometry to four equivalent U and five Au atoms.},
doi = {10.17188/1651680},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}