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Title: Materials Data on ErAl by Materials Project

Abstract

ErAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Er–Al bond distances ranging from 3.06–3.37 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Er–Al bond distances ranging from 3.03–3.54 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to eight Er and four Al atoms to form a mixture of distorted edge, corner, and face-sharing AlEr8Al4 cuboctahedra. There are two shorter (2.73 Å) and two longer (2.79 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to eight Er and two equivalent Al atoms.

Authors:
Publication Date:
Other Number(s):
mp-1188739
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; ErAl; Al-Er
OSTI Identifier:
1676253
DOI:
https://doi.org/10.17188/1676253

Citation Formats

The Materials Project. Materials Data on ErAl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676253.
The Materials Project. Materials Data on ErAl by Materials Project. United States. doi:https://doi.org/10.17188/1676253
The Materials Project. 2020. "Materials Data on ErAl by Materials Project". United States. doi:https://doi.org/10.17188/1676253. https://www.osti.gov/servlets/purl/1676253. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1676253,
title = {Materials Data on ErAl by Materials Project},
author = {The Materials Project},
abstractNote = {ErAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Er–Al bond distances ranging from 3.06–3.37 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Er–Al bond distances ranging from 3.03–3.54 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to eight Er and four Al atoms to form a mixture of distorted edge, corner, and face-sharing AlEr8Al4 cuboctahedra. There are two shorter (2.73 Å) and two longer (2.79 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to eight Er and two equivalent Al atoms.},
doi = {10.17188/1676253},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}