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Title: Materials Data on GaFe2 by Materials Project

Abstract

Fe2Ga is alpha La-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Fe is bonded to nine equivalent Fe and three equivalent Ga atoms to form FeGa3Fe9 cuboctahedra that share corners with three equivalent GaGa6Fe6 cuboctahedra, corners with nine equivalent FeGa3Fe9 cuboctahedra, edges with nine equivalent GaGa6Fe6 cuboctahedra, edges with fifteen equivalent FeGa3Fe9 cuboctahedra, faces with six equivalent GaGa6Fe6 cuboctahedra, and faces with twelve equivalent FeGa3Fe9 cuboctahedra. There are three shorter (2.61 Å) and six longer (2.65 Å) Fe–Fe bond lengths. All Fe–Ga bond lengths are 2.61 Å. Ga is bonded to six equivalent Fe and six equivalent Ga atoms to form GaGa6Fe6 cuboctahedra that share corners with six equivalent FeGa3Fe9 cuboctahedra, corners with six equivalent GaGa6Fe6 cuboctahedra, edges with six equivalent GaGa6Fe6 cuboctahedra, edges with eighteen equivalent FeGa3Fe9 cuboctahedra, faces with six equivalent GaGa6Fe6 cuboctahedra, and faces with twelve equivalent FeGa3Fe9 cuboctahedra. All Ga–Ga bond lengths are 2.65 Å.

Authors:
Publication Date:
Other Number(s):
mp-1224826
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; GaFe2; Fe-Ga
OSTI Identifier:
1705979
DOI:
https://doi.org/10.17188/1705979

Citation Formats

The Materials Project. Materials Data on GaFe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705979.
The Materials Project. Materials Data on GaFe2 by Materials Project. United States. doi:https://doi.org/10.17188/1705979
The Materials Project. 2020. "Materials Data on GaFe2 by Materials Project". United States. doi:https://doi.org/10.17188/1705979. https://www.osti.gov/servlets/purl/1705979. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1705979,
title = {Materials Data on GaFe2 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe2Ga is alpha La-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Fe is bonded to nine equivalent Fe and three equivalent Ga atoms to form FeGa3Fe9 cuboctahedra that share corners with three equivalent GaGa6Fe6 cuboctahedra, corners with nine equivalent FeGa3Fe9 cuboctahedra, edges with nine equivalent GaGa6Fe6 cuboctahedra, edges with fifteen equivalent FeGa3Fe9 cuboctahedra, faces with six equivalent GaGa6Fe6 cuboctahedra, and faces with twelve equivalent FeGa3Fe9 cuboctahedra. There are three shorter (2.61 Å) and six longer (2.65 Å) Fe–Fe bond lengths. All Fe–Ga bond lengths are 2.61 Å. Ga is bonded to six equivalent Fe and six equivalent Ga atoms to form GaGa6Fe6 cuboctahedra that share corners with six equivalent FeGa3Fe9 cuboctahedra, corners with six equivalent GaGa6Fe6 cuboctahedra, edges with six equivalent GaGa6Fe6 cuboctahedra, edges with eighteen equivalent FeGa3Fe9 cuboctahedra, faces with six equivalent GaGa6Fe6 cuboctahedra, and faces with twelve equivalent FeGa3Fe9 cuboctahedra. All Ga–Ga bond lengths are 2.65 Å.},
doi = {10.17188/1705979},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}