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Title: Materials Data on Y2AlFe3 by Materials Project

Abstract

Y2Fe3Al is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Y, nine equivalent Fe, and three equivalent Al atoms. There are one shorter (3.13 Å) and three longer (3.23 Å) Y–Y bond lengths. There are six shorter (3.05 Å) and three longer (3.10 Å) Y–Fe bond lengths. All Y–Al bond lengths are 3.07 Å. Fe is bonded to six equivalent Y, four equivalent Fe, and two equivalent Al atoms to form FeY6Al2Fe4 cuboctahedra that share corners with four equivalent AlY6Fe6 cuboctahedra, corners with fourteen equivalent FeY6Al2Fe4 cuboctahedra, edges with six equivalent FeY6Al2Fe4 cuboctahedra, faces with six equivalent AlY6Fe6 cuboctahedra, and faces with twelve equivalent FeY6Al2Fe4 cuboctahedra. All Fe–Fe bond lengths are 2.61 Å. Both Fe–Al bond lengths are 2.61 Å. Al is bonded to six equivalent Y and six equivalent Fe atoms to form AlY6Fe6 cuboctahedra that share corners with six equivalent AlY6Fe6 cuboctahedra, corners with twelve equivalent FeY6Al2Fe4 cuboctahedra, edges with six equivalent AlY6Fe6 cuboctahedra, and faces with eighteen equivalent FeY6Al2Fe4 cuboctahedra.

Publication Date:
Other Number(s):
mp-1216110
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; Y2AlFe3; Al-Fe-Y
OSTI Identifier:
1752599
DOI:
https://doi.org/10.17188/1752599

Citation Formats

The Materials Project. Materials Data on Y2AlFe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752599.
The Materials Project. Materials Data on Y2AlFe3 by Materials Project. United States. doi:https://doi.org/10.17188/1752599
The Materials Project. 2020. "Materials Data on Y2AlFe3 by Materials Project". United States. doi:https://doi.org/10.17188/1752599. https://www.osti.gov/servlets/purl/1752599. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1752599,
title = {Materials Data on Y2AlFe3 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2Fe3Al is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Y, nine equivalent Fe, and three equivalent Al atoms. There are one shorter (3.13 Å) and three longer (3.23 Å) Y–Y bond lengths. There are six shorter (3.05 Å) and three longer (3.10 Å) Y–Fe bond lengths. All Y–Al bond lengths are 3.07 Å. Fe is bonded to six equivalent Y, four equivalent Fe, and two equivalent Al atoms to form FeY6Al2Fe4 cuboctahedra that share corners with four equivalent AlY6Fe6 cuboctahedra, corners with fourteen equivalent FeY6Al2Fe4 cuboctahedra, edges with six equivalent FeY6Al2Fe4 cuboctahedra, faces with six equivalent AlY6Fe6 cuboctahedra, and faces with twelve equivalent FeY6Al2Fe4 cuboctahedra. All Fe–Fe bond lengths are 2.61 Å. Both Fe–Al bond lengths are 2.61 Å. Al is bonded to six equivalent Y and six equivalent Fe atoms to form AlY6Fe6 cuboctahedra that share corners with six equivalent AlY6Fe6 cuboctahedra, corners with twelve equivalent FeY6Al2Fe4 cuboctahedra, edges with six equivalent AlY6Fe6 cuboctahedra, and faces with eighteen equivalent FeY6Al2Fe4 cuboctahedra.},
doi = {10.17188/1752599},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}