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Title: Materials Data on GaFe4Co8Si3 by Materials Project

Abstract

Fe4Co8GaSi3 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight Co atoms. There are a spread of Fe–Co bond distances ranging from 2.40–2.45 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight Co atoms. There are a spread of Fe–Co bond distances ranging from 2.43–2.51 Å. There are eight inequivalent Co sites. In the first Co site, Co is bonded in a body-centered cubic geometry to four equivalent Fe, three equivalent Ga, and one Si atom. There are three shorter (2.43 Å) and one longer (2.51 Å) Co–Fe bond lengths. All Co–Ga bond lengths are 2.47 Å. The Co–Si bond length is 2.39 Å. In the second Co site, Co is bonded in a body-centered cubic geometry to four equivalent Fe and four Si atoms. There are one shorter (2.44 Å) and three longer (2.45 Å) Co–Si bond lengths. In the third Co site, Co is bonded in a body-centered cubic geometry to four Fe and four Si atoms. There are one shorter (2.44more » Å) and three longer (2.45 Å) Co–Si bond lengths. In the fourth Co site, Co is bonded in a body-centered cubic geometry to four equivalent Fe, three equivalent Ga, and one Si atom. All Co–Ga bond lengths are 2.47 Å. The Co–Si bond length is 2.39 Å. In the fifth Co site, Co is bonded in a body-centered cubic geometry to four Fe, one Ga, and three equivalent Si atoms. The Co–Ga bond length is 2.51 Å. All Co–Si bond lengths are 2.43 Å. In the sixth Co site, Co is bonded in a body-centered cubic geometry to four equivalent Fe, three equivalent Ga, and one Si atom. All Co–Ga bond lengths are 2.47 Å. The Co–Si bond length is 2.39 Å. In the seventh Co site, Co is bonded in a body-centered cubic geometry to four equivalent Fe and four Si atoms. There are one shorter (2.43 Å) and three longer (2.44 Å) Co–Fe bond lengths. There are one shorter (2.44 Å) and three longer (2.45 Å) Co–Si bond lengths. In the eighth Co site, Co is bonded in a body-centered cubic geometry to four equivalent Fe and four Si atoms. There are one shorter (2.43 Å) and three longer (2.44 Å) Co–Fe bond lengths. There are one shorter (2.44 Å) and three longer (2.45 Å) Co–Si bond lengths. Ga is bonded in a distorted body-centered cubic geometry to eight Co atoms. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted body-centered cubic geometry to eight Co atoms. In the second Si site, Si is bonded in a distorted body-centered cubic geometry to eight Co atoms.« less

Publication Date:
Other Number(s):
mp-1225114
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; GaFe4Co8Si3; Co-Fe-Ga-Si
OSTI Identifier:
1705578
DOI:
https://doi.org/10.17188/1705578

Citation Formats

The Materials Project. Materials Data on GaFe4Co8Si3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705578.
The Materials Project. Materials Data on GaFe4Co8Si3 by Materials Project. United States. doi:https://doi.org/10.17188/1705578
The Materials Project. 2020. "Materials Data on GaFe4Co8Si3 by Materials Project". United States. doi:https://doi.org/10.17188/1705578. https://www.osti.gov/servlets/purl/1705578. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1705578,
title = {Materials Data on GaFe4Co8Si3 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe4Co8GaSi3 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight Co atoms. There are a spread of Fe–Co bond distances ranging from 2.40–2.45 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight Co atoms. There are a spread of Fe–Co bond distances ranging from 2.43–2.51 Å. There are eight inequivalent Co sites. In the first Co site, Co is bonded in a body-centered cubic geometry to four equivalent Fe, three equivalent Ga, and one Si atom. There are three shorter (2.43 Å) and one longer (2.51 Å) Co–Fe bond lengths. All Co–Ga bond lengths are 2.47 Å. The Co–Si bond length is 2.39 Å. In the second Co site, Co is bonded in a body-centered cubic geometry to four equivalent Fe and four Si atoms. There are one shorter (2.44 Å) and three longer (2.45 Å) Co–Si bond lengths. In the third Co site, Co is bonded in a body-centered cubic geometry to four Fe and four Si atoms. There are one shorter (2.44 Å) and three longer (2.45 Å) Co–Si bond lengths. In the fourth Co site, Co is bonded in a body-centered cubic geometry to four equivalent Fe, three equivalent Ga, and one Si atom. All Co–Ga bond lengths are 2.47 Å. The Co–Si bond length is 2.39 Å. In the fifth Co site, Co is bonded in a body-centered cubic geometry to four Fe, one Ga, and three equivalent Si atoms. The Co–Ga bond length is 2.51 Å. All Co–Si bond lengths are 2.43 Å. In the sixth Co site, Co is bonded in a body-centered cubic geometry to four equivalent Fe, three equivalent Ga, and one Si atom. All Co–Ga bond lengths are 2.47 Å. The Co–Si bond length is 2.39 Å. In the seventh Co site, Co is bonded in a body-centered cubic geometry to four equivalent Fe and four Si atoms. There are one shorter (2.43 Å) and three longer (2.44 Å) Co–Fe bond lengths. There are one shorter (2.44 Å) and three longer (2.45 Å) Co–Si bond lengths. In the eighth Co site, Co is bonded in a body-centered cubic geometry to four equivalent Fe and four Si atoms. There are one shorter (2.43 Å) and three longer (2.44 Å) Co–Fe bond lengths. There are one shorter (2.44 Å) and three longer (2.45 Å) Co–Si bond lengths. Ga is bonded in a distorted body-centered cubic geometry to eight Co atoms. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted body-centered cubic geometry to eight Co atoms. In the second Si site, Si is bonded in a distorted body-centered cubic geometry to eight Co atoms.},
doi = {10.17188/1705578},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}