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Title: Materials Data on U2Co3Si by Materials Project

Abstract

U2Co3Si is Frank-Kasper $$\mu$$ Phase-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. U is bonded in a 9-coordinate geometry to one U, nine equivalent Co, and three equivalent Si atoms. The U–U bond length is 2.69 Å. There are three shorter (2.83 Å) and six longer (2.90 Å) U–Co bond lengths. All U–Si bond lengths are 3.01 Å. Co is bonded to six equivalent U, four equivalent Co, and two equivalent Si atoms to form CoU6Co4Si2 cuboctahedra that share corners with four equivalent SiU6Co6 cuboctahedra, corners with fourteen equivalent CoU6Co4Si2 cuboctahedra, edges with six equivalent CoU6Co4Si2 cuboctahedra, faces with six equivalent SiU6Co6 cuboctahedra, and faces with twelve equivalent CoU6Co4Si2 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.57 Å) Co–Co bond lengths. Both Co–Si bond lengths are 2.39 Å. Si is bonded to six equivalent U and six equivalent Co atoms to form SiU6Co6 cuboctahedra that share corners with twelve equivalent CoU6Co4Si2 cuboctahedra, edges with six equivalent SiU6Co6 cuboctahedra, faces with two equivalent SiU6Co6 cuboctahedra, and faces with eighteen equivalent CoU6Co4Si2 cuboctahedra.

Publication Date:
Other Number(s):
mp-1102105
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; U2Co3Si; Co-Si-U
OSTI Identifier:
1685588
DOI:
https://doi.org/10.17188/1685588

Citation Formats

The Materials Project. Materials Data on U2Co3Si by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1685588.
The Materials Project. Materials Data on U2Co3Si by Materials Project. United States. doi:https://doi.org/10.17188/1685588
The Materials Project. 2018. "Materials Data on U2Co3Si by Materials Project". United States. doi:https://doi.org/10.17188/1685588. https://www.osti.gov/servlets/purl/1685588. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1685588,
title = {Materials Data on U2Co3Si by Materials Project},
author = {The Materials Project},
abstractNote = {U2Co3Si is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. U is bonded in a 9-coordinate geometry to one U, nine equivalent Co, and three equivalent Si atoms. The U–U bond length is 2.69 Å. There are three shorter (2.83 Å) and six longer (2.90 Å) U–Co bond lengths. All U–Si bond lengths are 3.01 Å. Co is bonded to six equivalent U, four equivalent Co, and two equivalent Si atoms to form CoU6Co4Si2 cuboctahedra that share corners with four equivalent SiU6Co6 cuboctahedra, corners with fourteen equivalent CoU6Co4Si2 cuboctahedra, edges with six equivalent CoU6Co4Si2 cuboctahedra, faces with six equivalent SiU6Co6 cuboctahedra, and faces with twelve equivalent CoU6Co4Si2 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.57 Å) Co–Co bond lengths. Both Co–Si bond lengths are 2.39 Å. Si is bonded to six equivalent U and six equivalent Co atoms to form SiU6Co6 cuboctahedra that share corners with twelve equivalent CoU6Co4Si2 cuboctahedra, edges with six equivalent SiU6Co6 cuboctahedra, faces with two equivalent SiU6Co6 cuboctahedra, and faces with eighteen equivalent CoU6Co4Si2 cuboctahedra.},
doi = {10.17188/1685588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}