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Title: Materials Data on U2AlCo3 by Materials Project

Abstract

U2Co3Al crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. U is bonded in a 9-coordinate geometry to four equivalent U, nine equivalent Co, and three equivalent Al atoms. There are one shorter (2.75 Å) and three longer (3.16 Å) U–U bond lengths. There are three shorter (2.84 Å) and six longer (2.92 Å) U–Co bond lengths. All U–Al bond lengths are 3.02 Å. Co is bonded to six equivalent U, four equivalent Co, and two equivalent Al atoms to form distorted CoU6Al2Co4 cuboctahedra that share corners with four equivalent AlU6Co6 cuboctahedra, corners with fourteen equivalent CoU6Al2Co4 cuboctahedra, edges with six equivalent CoU6Al2Co4 cuboctahedra, faces with six equivalent AlU6Co6 cuboctahedra, and faces with twelve equivalent CoU6Al2Co4 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.63 Å) Co–Co bond lengths. Both Co–Al bond lengths are 2.44 Å. Al is bonded to six equivalent U and six equivalent Co atoms to form distorted AlU6Co6 cuboctahedra that share corners with twelve equivalent CoU6Al2Co4 cuboctahedra, edges with six equivalent AlU6Co6 cuboctahedra, faces with two equivalent AlU6Co6 cuboctahedra, and faces with eighteen equivalent CoU6Al2Co4 cuboctahedra.

Publication Date:
Other Number(s):
mp-30176
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; U2AlCo3; Al-Co-U
OSTI Identifier:
1204592
DOI:
https://doi.org/10.17188/1204592

Citation Formats

The Materials Project. Materials Data on U2AlCo3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204592.
The Materials Project. Materials Data on U2AlCo3 by Materials Project. United States. doi:https://doi.org/10.17188/1204592
The Materials Project. 2020. "Materials Data on U2AlCo3 by Materials Project". United States. doi:https://doi.org/10.17188/1204592. https://www.osti.gov/servlets/purl/1204592. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204592,
title = {Materials Data on U2AlCo3 by Materials Project},
author = {The Materials Project},
abstractNote = {U2Co3Al crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. U is bonded in a 9-coordinate geometry to four equivalent U, nine equivalent Co, and three equivalent Al atoms. There are one shorter (2.75 Å) and three longer (3.16 Å) U–U bond lengths. There are three shorter (2.84 Å) and six longer (2.92 Å) U–Co bond lengths. All U–Al bond lengths are 3.02 Å. Co is bonded to six equivalent U, four equivalent Co, and two equivalent Al atoms to form distorted CoU6Al2Co4 cuboctahedra that share corners with four equivalent AlU6Co6 cuboctahedra, corners with fourteen equivalent CoU6Al2Co4 cuboctahedra, edges with six equivalent CoU6Al2Co4 cuboctahedra, faces with six equivalent AlU6Co6 cuboctahedra, and faces with twelve equivalent CoU6Al2Co4 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.63 Å) Co–Co bond lengths. Both Co–Al bond lengths are 2.44 Å. Al is bonded to six equivalent U and six equivalent Co atoms to form distorted AlU6Co6 cuboctahedra that share corners with twelve equivalent CoU6Al2Co4 cuboctahedra, edges with six equivalent AlU6Co6 cuboctahedra, faces with two equivalent AlU6Co6 cuboctahedra, and faces with eighteen equivalent CoU6Al2Co4 cuboctahedra.},
doi = {10.17188/1204592},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}