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Title: Materials Data on YU3 by Materials Project

Abstract

U3Y is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to eight U and four equivalent Y atoms to form UY4U8 cuboctahedra that share corners with twelve equivalent UY4U8 cuboctahedra, edges with eight equivalent YU12 cuboctahedra, edges with sixteen UY4U8 cuboctahedra, faces with four equivalent YU12 cuboctahedra, and faces with fourteen UY4U8 cuboctahedra. There are four shorter (3.11 Å) and four longer (3.25 Å) U–U bond lengths. All U–Y bond lengths are 3.25 Å. In the second U site, U is bonded to eight equivalent U and four equivalent Y atoms to form distorted UY4U8 cuboctahedra that share corners with four equivalent UY4U8 cuboctahedra, corners with eight equivalent YU12 cuboctahedra, edges with twenty-four UY4U8 cuboctahedra, faces with six equivalent YU12 cuboctahedra, and faces with twelve UY4U8 cuboctahedra. All U–Y bond lengths are 3.11 Å. Y is bonded to twelve U atoms to form YU12 cuboctahedra that share corners with four equivalent YU12 cuboctahedra, corners with eight equivalent UY4U8 cuboctahedra, edges with eight equivalent YU12 cuboctahedra, edges with sixteen equivalent UY4U8 cuboctahedra, faces with four equivalent YU12 cuboctahedra, and facesmore » with fourteen UY4U8 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1187882
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; YU3; U-Y
OSTI Identifier:
1652895
DOI:
https://doi.org/10.17188/1652895

Citation Formats

The Materials Project. Materials Data on YU3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652895.
The Materials Project. Materials Data on YU3 by Materials Project. United States. doi:https://doi.org/10.17188/1652895
The Materials Project. 2020. "Materials Data on YU3 by Materials Project". United States. doi:https://doi.org/10.17188/1652895. https://www.osti.gov/servlets/purl/1652895. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1652895,
title = {Materials Data on YU3 by Materials Project},
author = {The Materials Project},
abstractNote = {U3Y is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to eight U and four equivalent Y atoms to form UY4U8 cuboctahedra that share corners with twelve equivalent UY4U8 cuboctahedra, edges with eight equivalent YU12 cuboctahedra, edges with sixteen UY4U8 cuboctahedra, faces with four equivalent YU12 cuboctahedra, and faces with fourteen UY4U8 cuboctahedra. There are four shorter (3.11 Å) and four longer (3.25 Å) U–U bond lengths. All U–Y bond lengths are 3.25 Å. In the second U site, U is bonded to eight equivalent U and four equivalent Y atoms to form distorted UY4U8 cuboctahedra that share corners with four equivalent UY4U8 cuboctahedra, corners with eight equivalent YU12 cuboctahedra, edges with twenty-four UY4U8 cuboctahedra, faces with six equivalent YU12 cuboctahedra, and faces with twelve UY4U8 cuboctahedra. All U–Y bond lengths are 3.11 Å. Y is bonded to twelve U atoms to form YU12 cuboctahedra that share corners with four equivalent YU12 cuboctahedra, corners with eight equivalent UY4U8 cuboctahedra, edges with eight equivalent YU12 cuboctahedra, edges with sixteen equivalent UY4U8 cuboctahedra, faces with four equivalent YU12 cuboctahedra, and faces with fourteen UY4U8 cuboctahedra.},
doi = {10.17188/1652895},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}