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Title: Materials Data on YbAl7Fe5 by Materials Project

Abstract

YbFe5Al7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Yb is bonded in a 4-coordinate geometry to ten Fe and ten Al atoms. There are a spread of Yb–Fe bond distances ranging from 3.21–3.34 Å. There are a spread of Yb–Al bond distances ranging from 2.85–3.21 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Yb, three Fe, and seven Al atoms. There are a spread of Fe–Fe bond distances ranging from 2.48–2.54 Å. There are a spread of Fe–Al bond distances ranging from 2.47–2.65 Å. In the second Fe site, Fe is bonded to two equivalent Yb, four equivalent Fe, and six Al atoms to form distorted edge-sharing FeYb2Al6Fe4 cuboctahedra. There are a spread of Fe–Al bond distances ranging from 2.58–2.71 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to one Yb, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.68–2.84 Å. In the second Al site, Al is bonded in a 7-coordinate geometry to one Yb, six Fe, and three Al atoms.more » Both Al–Al bond lengths are 2.88 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to one Yb, five Fe, and four Al atoms. There are three shorter (2.75 Å) and one longer (2.78 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Yb, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.70 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Yb, five Fe, and five Al atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1215612
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; YbAl7Fe5; Al-Fe-Yb
OSTI Identifier:
1672490
DOI:
https://doi.org/10.17188/1672490

Citation Formats

The Materials Project. Materials Data on YbAl7Fe5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1672490.
The Materials Project. Materials Data on YbAl7Fe5 by Materials Project. United States. doi:https://doi.org/10.17188/1672490
The Materials Project. 2019. "Materials Data on YbAl7Fe5 by Materials Project". United States. doi:https://doi.org/10.17188/1672490. https://www.osti.gov/servlets/purl/1672490. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1672490,
title = {Materials Data on YbAl7Fe5 by Materials Project},
author = {The Materials Project},
abstractNote = {YbFe5Al7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Yb is bonded in a 4-coordinate geometry to ten Fe and ten Al atoms. There are a spread of Yb–Fe bond distances ranging from 3.21–3.34 Å. There are a spread of Yb–Al bond distances ranging from 2.85–3.21 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Yb, three Fe, and seven Al atoms. There are a spread of Fe–Fe bond distances ranging from 2.48–2.54 Å. There are a spread of Fe–Al bond distances ranging from 2.47–2.65 Å. In the second Fe site, Fe is bonded to two equivalent Yb, four equivalent Fe, and six Al atoms to form distorted edge-sharing FeYb2Al6Fe4 cuboctahedra. There are a spread of Fe–Al bond distances ranging from 2.58–2.71 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to one Yb, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.68–2.84 Å. In the second Al site, Al is bonded in a 7-coordinate geometry to one Yb, six Fe, and three Al atoms. Both Al–Al bond lengths are 2.88 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to one Yb, five Fe, and four Al atoms. There are three shorter (2.75 Å) and one longer (2.78 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Yb, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.70 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Yb, five Fe, and five Al atoms.},
doi = {10.17188/1672490},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}