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Title: Materials Data on U3(Al3Co)4 by Materials Project

Abstract

U3(CoAl3)4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. U is bonded in a 5-coordinate geometry to two equivalent U, four equivalent Co, and eleven Al atoms. Both U–U bond lengths are 3.25 Å. All U–Co bond lengths are 3.23 Å. There are a spread of U–Al bond distances ranging from 2.92–3.21 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a body-centered cubic geometry to eight Al atoms. There are two shorter (2.33 Å) and six longer (2.48 Å) Co–Al bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to four equivalent U and eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.47–2.63 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, two equivalent Co, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–2.85 Å. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent U, three Co, and two equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinatemore » geometry to three equivalent U, three equivalent Co, and three equivalent Al atoms. In the fourth Al site, Al is bonded in a distorted linear geometry to three equivalent U and two equivalent Co atoms.« less

Publication Date:
Other Number(s):
mp-1208106
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; U3(Al3Co)4; Al-Co-U
OSTI Identifier:
1727204
DOI:
https://doi.org/10.17188/1727204

Citation Formats

The Materials Project. Materials Data on U3(Al3Co)4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1727204.
The Materials Project. Materials Data on U3(Al3Co)4 by Materials Project. United States. doi:https://doi.org/10.17188/1727204
The Materials Project. 2019. "Materials Data on U3(Al3Co)4 by Materials Project". United States. doi:https://doi.org/10.17188/1727204. https://www.osti.gov/servlets/purl/1727204. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1727204,
title = {Materials Data on U3(Al3Co)4 by Materials Project},
author = {The Materials Project},
abstractNote = {U3(CoAl3)4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. U is bonded in a 5-coordinate geometry to two equivalent U, four equivalent Co, and eleven Al atoms. Both U–U bond lengths are 3.25 Å. All U–Co bond lengths are 3.23 Å. There are a spread of U–Al bond distances ranging from 2.92–3.21 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a body-centered cubic geometry to eight Al atoms. There are two shorter (2.33 Å) and six longer (2.48 Å) Co–Al bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to four equivalent U and eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.47–2.63 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, two equivalent Co, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–2.85 Å. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent U, three Co, and two equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent U, three equivalent Co, and three equivalent Al atoms. In the fourth Al site, Al is bonded in a distorted linear geometry to three equivalent U and two equivalent Co atoms.},
doi = {10.17188/1727204},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}