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Title: Materials Data on ErAl4Ni by Materials Project

Abstract

ErNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Er–Ni bond lengths are 3.16 Å. There are a spread of Er–Al bond distances ranging from 2.96–3.33 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Er and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.30–2.48 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 1-coordinate geometry to three equivalent Er, one Ni, and four equivalent Al atoms. All Al–Al bond lengths are 2.85 Å. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Er, three equivalent Ni, and one Al atom. The Al–Al bond length is 2.91 Å. In the third Al site, Al is bonded in a distorted q6 geometry to four equivalent Er and six Al atoms.

Authors:
Publication Date:
Other Number(s):
mp-31183
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; ErAl4Ni; Al-Er-Ni
OSTI Identifier:
1205488
DOI:
https://doi.org/10.17188/1205488

Citation Formats

The Materials Project. Materials Data on ErAl4Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205488.
The Materials Project. Materials Data on ErAl4Ni by Materials Project. United States. doi:https://doi.org/10.17188/1205488
The Materials Project. 2020. "Materials Data on ErAl4Ni by Materials Project". United States. doi:https://doi.org/10.17188/1205488. https://www.osti.gov/servlets/purl/1205488. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1205488,
title = {Materials Data on ErAl4Ni by Materials Project},
author = {The Materials Project},
abstractNote = {ErNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Er–Ni bond lengths are 3.16 Å. There are a spread of Er–Al bond distances ranging from 2.96–3.33 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Er and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.30–2.48 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 1-coordinate geometry to three equivalent Er, one Ni, and four equivalent Al atoms. All Al–Al bond lengths are 2.85 Å. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Er, three equivalent Ni, and one Al atom. The Al–Al bond length is 2.91 Å. In the third Al site, Al is bonded in a distorted q6 geometry to four equivalent Er and six Al atoms.},
doi = {10.17188/1205488},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}