DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on GaCo3 by Materials Project

Abstract

Co3Ga is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to eight Co and four equivalent Ga atoms to form CoGa4Co8 cuboctahedra that share corners with twelve equivalent CoGa4Co8 cuboctahedra, edges with eight equivalent GaCo12 cuboctahedra, edges with sixteen CoGa4Co8 cuboctahedra, faces with four equivalent GaCo12 cuboctahedra, and faces with fourteen CoGa4Co8 cuboctahedra. There are four shorter (2.49 Å) and four longer (2.54 Å) Co–Co bond lengths. All Co–Ga bond lengths are 2.49 Å. In the second Co site, Co is bonded to eight equivalent Co and four equivalent Ga atoms to form CoGa4Co8 cuboctahedra that share corners with four equivalent CoGa4Co8 cuboctahedra, corners with eight equivalent GaCo12 cuboctahedra, edges with twenty-four CoGa4Co8 cuboctahedra, faces with six equivalent GaCo12 cuboctahedra, and faces with twelve CoGa4Co8 cuboctahedra. All Co–Ga bond lengths are 2.54 Å. Ga is bonded to twelve Co atoms to form GaCo12 cuboctahedra that share corners with four equivalent GaCo12 cuboctahedra, corners with eight equivalent CoGa4Co8 cuboctahedra, edges with eight equivalent GaCo12 cuboctahedra, edges with sixteen equivalent CoGa4Co8 cuboctahedra, faces with four equivalent GaCo12 cuboctahedra, and faces withmore » fourteen CoGa4Co8 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1184006
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; GaCo3; Co-Ga
OSTI Identifier:
1692818
DOI:
https://doi.org/10.17188/1692818

Citation Formats

The Materials Project. Materials Data on GaCo3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1692818.
The Materials Project. Materials Data on GaCo3 by Materials Project. United States. doi:https://doi.org/10.17188/1692818
The Materials Project. 2020. "Materials Data on GaCo3 by Materials Project". United States. doi:https://doi.org/10.17188/1692818. https://www.osti.gov/servlets/purl/1692818. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1692818,
title = {Materials Data on GaCo3 by Materials Project},
author = {The Materials Project},
abstractNote = {Co3Ga is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to eight Co and four equivalent Ga atoms to form CoGa4Co8 cuboctahedra that share corners with twelve equivalent CoGa4Co8 cuboctahedra, edges with eight equivalent GaCo12 cuboctahedra, edges with sixteen CoGa4Co8 cuboctahedra, faces with four equivalent GaCo12 cuboctahedra, and faces with fourteen CoGa4Co8 cuboctahedra. There are four shorter (2.49 Å) and four longer (2.54 Å) Co–Co bond lengths. All Co–Ga bond lengths are 2.49 Å. In the second Co site, Co is bonded to eight equivalent Co and four equivalent Ga atoms to form CoGa4Co8 cuboctahedra that share corners with four equivalent CoGa4Co8 cuboctahedra, corners with eight equivalent GaCo12 cuboctahedra, edges with twenty-four CoGa4Co8 cuboctahedra, faces with six equivalent GaCo12 cuboctahedra, and faces with twelve CoGa4Co8 cuboctahedra. All Co–Ga bond lengths are 2.54 Å. Ga is bonded to twelve Co atoms to form GaCo12 cuboctahedra that share corners with four equivalent GaCo12 cuboctahedra, corners with eight equivalent CoGa4Co8 cuboctahedra, edges with eight equivalent GaCo12 cuboctahedra, edges with sixteen equivalent CoGa4Co8 cuboctahedra, faces with four equivalent GaCo12 cuboctahedra, and faces with fourteen CoGa4Co8 cuboctahedra.},
doi = {10.17188/1692818},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}