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Title: Materials Data on U3(Al3Ru)4 by Materials Project

Abstract

U3(RuAl3)4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. U is bonded in a 5-coordinate geometry to four equivalent Ru and eleven Al atoms. All U–Ru bond lengths are 3.31 Å. There are a spread of U–Al bond distances ranging from 2.99–3.26 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a body-centered cubic geometry to eight Al atoms. There are two shorter (2.36 Å) and six longer (2.57 Å) Ru–Al bond lengths. In the second Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent U and eight Al atoms. There are a spread of Ru–Al bond distances ranging from 2.54–2.71 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal non-coplanar geometry to three equivalent U and three Ru atoms. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent U and two equivalent Ru atoms. In the third Al site, Al is bonded in a distorted trigonal planar geometry to three equivalent U and three equivalent Ru atoms. In the fourth Al site, Al is bonded in a distorted linear geometrymore » to three equivalent U and two equivalent Ru atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-568842
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; U3(Al3Ru)4; Al-Ru-U
OSTI Identifier:
1274724
DOI:
https://doi.org/10.17188/1274724

Citation Formats

The Materials Project. Materials Data on U3(Al3Ru)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274724.
The Materials Project. Materials Data on U3(Al3Ru)4 by Materials Project. United States. doi:https://doi.org/10.17188/1274724
The Materials Project. 2020. "Materials Data on U3(Al3Ru)4 by Materials Project". United States. doi:https://doi.org/10.17188/1274724. https://www.osti.gov/servlets/purl/1274724. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1274724,
title = {Materials Data on U3(Al3Ru)4 by Materials Project},
author = {The Materials Project},
abstractNote = {U3(RuAl3)4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. U is bonded in a 5-coordinate geometry to four equivalent Ru and eleven Al atoms. All U–Ru bond lengths are 3.31 Å. There are a spread of U–Al bond distances ranging from 2.99–3.26 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a body-centered cubic geometry to eight Al atoms. There are two shorter (2.36 Å) and six longer (2.57 Å) Ru–Al bond lengths. In the second Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent U and eight Al atoms. There are a spread of Ru–Al bond distances ranging from 2.54–2.71 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal non-coplanar geometry to three equivalent U and three Ru atoms. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent U and two equivalent Ru atoms. In the third Al site, Al is bonded in a distorted trigonal planar geometry to three equivalent U and three equivalent Ru atoms. In the fourth Al site, Al is bonded in a distorted linear geometry to three equivalent U and two equivalent Ru atoms.},
doi = {10.17188/1274724},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jun 04 00:00:00 EDT 2020},
month = {Thu Jun 04 00:00:00 EDT 2020}
}