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Title: Materials Data on U3Si by Materials Project

Abstract

U3Si is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to eight equivalent U and four equivalent Si atoms to form distorted UU8Si4 cuboctahedra that share corners with twelve equivalent UU8Si4 cuboctahedra, edges with eight equivalent SiU12 cuboctahedra, faces with four equivalent SiU12 cuboctahedra, and faces with six equivalent UU8Si4 cuboctahedra. There are four shorter (2.86 Å) and four longer (3.15 Å) U–U bond lengths. All U–Si bond lengths are 3.01 Å. In the second U site, U is bonded in a 12-coordinate geometry to eight U and four equivalent Si atoms. All U–U bond lengths are 3.02 Å. All U–Si bond lengths are 3.01 Å. Si is bonded to twelve U atoms to form SiU12 cuboctahedra that share corners with twelve equivalent SiU12 cuboctahedra, edges with eight equivalent UU8Si4 cuboctahedra, faces with four equivalent UU8Si4 cuboctahedra, and faces with six equivalent SiU12 cuboctahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-956
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; U3Si; Si-U
OSTI Identifier:
1282229
DOI:
10.17188/1282229

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on U3Si by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282229.
Persson, Kristin, & Project, Materials. Materials Data on U3Si by Materials Project. United States. doi:10.17188/1282229.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on U3Si by Materials Project". United States. doi:10.17188/1282229. https://www.osti.gov/servlets/purl/1282229. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1282229,
title = {Materials Data on U3Si by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {U3Si is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to eight equivalent U and four equivalent Si atoms to form distorted UU8Si4 cuboctahedra that share corners with twelve equivalent UU8Si4 cuboctahedra, edges with eight equivalent SiU12 cuboctahedra, faces with four equivalent SiU12 cuboctahedra, and faces with six equivalent UU8Si4 cuboctahedra. There are four shorter (2.86 Å) and four longer (3.15 Å) U–U bond lengths. All U–Si bond lengths are 3.01 Å. In the second U site, U is bonded in a 12-coordinate geometry to eight U and four equivalent Si atoms. All U–U bond lengths are 3.02 Å. All U–Si bond lengths are 3.01 Å. Si is bonded to twelve U atoms to form SiU12 cuboctahedra that share corners with twelve equivalent SiU12 cuboctahedra, edges with eight equivalent UU8Si4 cuboctahedra, faces with four equivalent UU8Si4 cuboctahedra, and faces with six equivalent SiU12 cuboctahedra.},
doi = {10.17188/1282229},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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