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Title: Materials Data on Er(Al2Cu)4 by Materials Project

Abstract

Al8Cu4Er crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Er–Cu bond lengths are 3.36 Å. There are four shorter (3.06 Å) and eight longer (3.19 Å) Er–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent Er, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.55 Å. There are four shorter (2.56 Å) and four longer (2.69 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Er, four equivalent Cu, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–2.83 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Er, four equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.71 Å.

Authors:
Publication Date:
Other Number(s):
mp-1104269
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; Er(Al2Cu)4; Al-Cu-Er
OSTI Identifier:
1741833
DOI:
https://doi.org/10.17188/1741833

Citation Formats

The Materials Project. Materials Data on Er(Al2Cu)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741833.
The Materials Project. Materials Data on Er(Al2Cu)4 by Materials Project. United States. doi:https://doi.org/10.17188/1741833
The Materials Project. 2020. "Materials Data on Er(Al2Cu)4 by Materials Project". United States. doi:https://doi.org/10.17188/1741833. https://www.osti.gov/servlets/purl/1741833. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1741833,
title = {Materials Data on Er(Al2Cu)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Al8Cu4Er crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Er–Cu bond lengths are 3.36 Å. There are four shorter (3.06 Å) and eight longer (3.19 Å) Er–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent Er, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.55 Å. There are four shorter (2.56 Å) and four longer (2.69 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Er, four equivalent Cu, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–2.83 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Er, four equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.71 Å.},
doi = {10.17188/1741833},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}