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Title: Materials Data on Ce2Al6CuAu by Materials Project

Abstract

Ce2AuCuAl6 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 4-coordinate geometry to four equivalent Cu and twelve Al atoms. All Ce–Cu bond lengths are 3.36 Å. There are a spread of Ce–Al bond distances ranging from 3.18–3.40 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Au and twelve Al atoms. All Ce–Au bond lengths are 3.38 Å. There are a spread of Ce–Al bond distances ranging from 3.19–3.58 Å. Au is bonded in a 5-coordinate geometry to four equivalent Ce and five Al atoms. There are one shorter (2.48 Å) and four longer (2.55 Å) Au–Al bond lengths. Cu is bonded in a 5-coordinate geometry to four equivalent Ce and five Al atoms. There are one shorter (2.37 Å) and four longer (2.46 Å) Cu–Al bond lengths. There are four inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 120 degrees geometry to four Ce and two equivalent Cu atoms. In the second Al site, Al is bonded in a distorted bent 120 degrees geometry to fourmore » Ce and two equivalent Au atoms. In the third Al site, Al is bonded in a distorted single-bond geometry to four equivalent Ce and one Au atom. In the fourth Al site, Al is bonded in a distorted single-bond geometry to four equivalent Ce and one Cu atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1226991
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; Ce2Al6CuAu; Al-Au-Ce-Cu
OSTI Identifier:
1689127
DOI:
https://doi.org/10.17188/1689127

Citation Formats

The Materials Project. Materials Data on Ce2Al6CuAu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689127.
The Materials Project. Materials Data on Ce2Al6CuAu by Materials Project. United States. doi:https://doi.org/10.17188/1689127
The Materials Project. 2020. "Materials Data on Ce2Al6CuAu by Materials Project". United States. doi:https://doi.org/10.17188/1689127. https://www.osti.gov/servlets/purl/1689127. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1689127,
title = {Materials Data on Ce2Al6CuAu by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2AuCuAl6 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 4-coordinate geometry to four equivalent Cu and twelve Al atoms. All Ce–Cu bond lengths are 3.36 Å. There are a spread of Ce–Al bond distances ranging from 3.18–3.40 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Au and twelve Al atoms. All Ce–Au bond lengths are 3.38 Å. There are a spread of Ce–Al bond distances ranging from 3.19–3.58 Å. Au is bonded in a 5-coordinate geometry to four equivalent Ce and five Al atoms. There are one shorter (2.48 Å) and four longer (2.55 Å) Au–Al bond lengths. Cu is bonded in a 5-coordinate geometry to four equivalent Ce and five Al atoms. There are one shorter (2.37 Å) and four longer (2.46 Å) Cu–Al bond lengths. There are four inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 120 degrees geometry to four Ce and two equivalent Cu atoms. In the second Al site, Al is bonded in a distorted bent 120 degrees geometry to four Ce and two equivalent Au atoms. In the third Al site, Al is bonded in a distorted single-bond geometry to four equivalent Ce and one Au atom. In the fourth Al site, Al is bonded in a distorted single-bond geometry to four equivalent Ce and one Cu atom.},
doi = {10.17188/1689127},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}