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Title: Materials Data on Cr3GaFe3As2 by Materials Project

Abstract

Cr3Fe3GaAs2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Cr is bonded in a 5-coordinate geometry to one Ga and four equivalent As atoms. The Cr–Ga bond length is 2.55 Å. All Cr–As bond lengths are 2.62 Å. Fe is bonded in a 2-coordinate geometry to two equivalent Ga and two equivalent As atoms. Both Fe–Ga bond lengths are 2.40 Å. Both Fe–As bond lengths are 2.32 Å. Ga is bonded in a distorted q6 geometry to three equivalent Cr and six equivalent Fe atoms. As is bonded in a 9-coordinate geometry to six equivalent Cr and three equivalent Fe atoms.

Authors:
Publication Date:
Other Number(s):
mp-1226345
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; Cr3GaFe3As2; As-Cr-Fe-Ga
OSTI Identifier:
1738313
DOI:
https://doi.org/10.17188/1738313

Citation Formats

The Materials Project. Materials Data on Cr3GaFe3As2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738313.
The Materials Project. Materials Data on Cr3GaFe3As2 by Materials Project. United States. doi:https://doi.org/10.17188/1738313
The Materials Project. 2020. "Materials Data on Cr3GaFe3As2 by Materials Project". United States. doi:https://doi.org/10.17188/1738313. https://www.osti.gov/servlets/purl/1738313. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1738313,
title = {Materials Data on Cr3GaFe3As2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr3Fe3GaAs2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Cr is bonded in a 5-coordinate geometry to one Ga and four equivalent As atoms. The Cr–Ga bond length is 2.55 Å. All Cr–As bond lengths are 2.62 Å. Fe is bonded in a 2-coordinate geometry to two equivalent Ga and two equivalent As atoms. Both Fe–Ga bond lengths are 2.40 Å. Both Fe–As bond lengths are 2.32 Å. Ga is bonded in a distorted q6 geometry to three equivalent Cr and six equivalent Fe atoms. As is bonded in a 9-coordinate geometry to six equivalent Cr and three equivalent Fe atoms.},
doi = {10.17188/1738313},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}