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Title: Materials Data on CrGaFe2 by Materials Project

Abstract

Fe2CrGa crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Cr is bonded in a 12-coordinate geometry to two equivalent Fe and two equivalent Ga atoms. Both Cr–Fe bond lengths are 2.45 Å. Both Cr–Ga bond lengths are 2.56 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to six Fe and two equivalent Ga atoms. There are two shorter (2.46 Å) and four longer (2.55 Å) Fe–Fe bond lengths. Both Fe–Ga bond lengths are 2.53 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to two equivalent Cr and two equivalent Fe atoms. Ga is bonded in a 8-coordinate geometry to two equivalent Cr, two equivalent Fe, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.55 Å.

Authors:
Publication Date:
Other Number(s):
mp-1226220
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; CrGaFe2; Cr-Fe-Ga
OSTI Identifier:
1687011
DOI:
https://doi.org/10.17188/1687011

Citation Formats

The Materials Project. Materials Data on CrGaFe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687011.
The Materials Project. Materials Data on CrGaFe2 by Materials Project. United States. doi:https://doi.org/10.17188/1687011
The Materials Project. 2020. "Materials Data on CrGaFe2 by Materials Project". United States. doi:https://doi.org/10.17188/1687011. https://www.osti.gov/servlets/purl/1687011. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1687011,
title = {Materials Data on CrGaFe2 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe2CrGa crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Cr is bonded in a 12-coordinate geometry to two equivalent Fe and two equivalent Ga atoms. Both Cr–Fe bond lengths are 2.45 Å. Both Cr–Ga bond lengths are 2.56 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to six Fe and two equivalent Ga atoms. There are two shorter (2.46 Å) and four longer (2.55 Å) Fe–Fe bond lengths. Both Fe–Ga bond lengths are 2.53 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to two equivalent Cr and two equivalent Fe atoms. Ga is bonded in a 8-coordinate geometry to two equivalent Cr, two equivalent Fe, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.55 Å.},
doi = {10.17188/1687011},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}