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Title: Materials Data on Er(AlFe2)4 by Materials Project

Abstract

Er(Fe2Al)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to sixteen Fe and four equivalent Al atoms. There are eight shorter (3.15 Å) and eight longer (3.25 Å) Er–Fe bond lengths. All Er–Al bond lengths are 2.92 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Er, six Fe, and four equivalent Al atoms to form a mixture of distorted edge, corner, and face-sharing FeEr2Al4Fe6 cuboctahedra. There are four shorter (2.46 Å) and two longer (2.47 Å) Fe–Fe bond lengths. All Fe–Al bond lengths are 2.58 Å. In the second Fe site, Fe is bonded to two equivalent Er, six Fe, and four equivalent Al atoms to form a mixture of distorted edge, corner, and face-sharing FeEr2Al4Fe6 cuboctahedra. Both Fe–Fe bond lengths are 2.76 Å. There are two shorter (2.65 Å) and two longer (2.66 Å) Fe–Al bond lengths. Al is bonded in a 10-coordinate geometry to one Er, eight Fe, and one Al atom. The Al–Al bond length is 2.64 Å.

Publication Date:
Other Number(s):
mp-1212817
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; Er(AlFe2)4; Al-Er-Fe
OSTI Identifier:
1685571
DOI:
https://doi.org/10.17188/1685571

Citation Formats

The Materials Project. Materials Data on Er(AlFe2)4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685571.
The Materials Project. Materials Data on Er(AlFe2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1685571
The Materials Project. 2019. "Materials Data on Er(AlFe2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1685571. https://www.osti.gov/servlets/purl/1685571. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1685571,
title = {Materials Data on Er(AlFe2)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Er(Fe2Al)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to sixteen Fe and four equivalent Al atoms. There are eight shorter (3.15 Å) and eight longer (3.25 Å) Er–Fe bond lengths. All Er–Al bond lengths are 2.92 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Er, six Fe, and four equivalent Al atoms to form a mixture of distorted edge, corner, and face-sharing FeEr2Al4Fe6 cuboctahedra. There are four shorter (2.46 Å) and two longer (2.47 Å) Fe–Fe bond lengths. All Fe–Al bond lengths are 2.58 Å. In the second Fe site, Fe is bonded to two equivalent Er, six Fe, and four equivalent Al atoms to form a mixture of distorted edge, corner, and face-sharing FeEr2Al4Fe6 cuboctahedra. Both Fe–Fe bond lengths are 2.76 Å. There are two shorter (2.65 Å) and two longer (2.66 Å) Fe–Al bond lengths. Al is bonded in a 10-coordinate geometry to one Er, eight Fe, and one Al atom. The Al–Al bond length is 2.64 Å.},
doi = {10.17188/1685571},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}