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Title: Materials Data on U4Ga12Co by Materials Project

Abstract

U4CoGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. U is bonded to twelve Ga atoms to form UGa12 cuboctahedra that share corners with twelve equivalent UGa12 cuboctahedra, edges with twelve equivalent GaU4Ga8 cuboctahedra, faces with six equivalent UGa12 cuboctahedra, faces with six equivalent GaU4Ga8 cuboctahedra, and faces with two equivalent CoGa6 octahedra. There are six shorter (3.03 Å) and six longer (3.04 Å) U–Ga bond lengths. Co is bonded to six equivalent Ga atoms to form CoGa6 octahedra that share corners with twenty-four equivalent GaU4Ga8 cuboctahedra and faces with eight equivalent UGa12 cuboctahedra. All Co–Ga bond lengths are 2.41 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent U and eight Ga atoms to form distorted GaU4Ga8 cuboctahedra that share corners with four equivalent GaU4Ga8 cuboctahedra, corners with four equivalent CoGa6 octahedra, edges with eight equivalent UGa12 cuboctahedra, edges with eight equivalent GaU4Ga8 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with six equivalent GaU4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.84 Å) and four longer (3.03 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded inmore » a 5-coordinate geometry to four equivalent U, one Co, and four equivalent Ga atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-641621
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; U4Ga12Co; Co-Ga-U
OSTI Identifier:
1280050
DOI:
10.17188/1280050

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on U4Ga12Co by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280050.
Persson, Kristin, & Project, Materials. Materials Data on U4Ga12Co by Materials Project. United States. doi:10.17188/1280050.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on U4Ga12Co by Materials Project". United States. doi:10.17188/1280050. https://www.osti.gov/servlets/purl/1280050. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1280050,
title = {Materials Data on U4Ga12Co by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {U4CoGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. U is bonded to twelve Ga atoms to form UGa12 cuboctahedra that share corners with twelve equivalent UGa12 cuboctahedra, edges with twelve equivalent GaU4Ga8 cuboctahedra, faces with six equivalent UGa12 cuboctahedra, faces with six equivalent GaU4Ga8 cuboctahedra, and faces with two equivalent CoGa6 octahedra. There are six shorter (3.03 Å) and six longer (3.04 Å) U–Ga bond lengths. Co is bonded to six equivalent Ga atoms to form CoGa6 octahedra that share corners with twenty-four equivalent GaU4Ga8 cuboctahedra and faces with eight equivalent UGa12 cuboctahedra. All Co–Ga bond lengths are 2.41 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent U and eight Ga atoms to form distorted GaU4Ga8 cuboctahedra that share corners with four equivalent GaU4Ga8 cuboctahedra, corners with four equivalent CoGa6 octahedra, edges with eight equivalent UGa12 cuboctahedra, edges with eight equivalent GaU4Ga8 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with six equivalent GaU4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.84 Å) and four longer (3.03 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 5-coordinate geometry to four equivalent U, one Co, and four equivalent Ga atoms.},
doi = {10.17188/1280050},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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