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Title: Materials Data on Ce(Al10Co)2 by Materials Project

Abstract

Ce(CoAl10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to sixteen Al atoms. There are four shorter (3.12 Å) and twelve longer (3.21 Å) Ce–Al bond lengths. Co is bonded to twelve Al atoms to form corner-sharing CoAl12 cuboctahedra. There are six shorter (2.55 Å) and six longer (2.76 Å) Co–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted linear geometry to two equivalent Ce and twelve equivalent Al atoms. All Al–Al bond lengths are 3.09 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Co and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.82 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to one Ce, one Co, and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.88 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-16966
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; Ce(Al10Co)2; Al-Ce-Co
OSTI Identifier:
1192258
DOI:
10.17188/1192258

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ce(Al10Co)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192258.
Persson, Kristin, & Project, Materials. Materials Data on Ce(Al10Co)2 by Materials Project. United States. doi:10.17188/1192258.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ce(Al10Co)2 by Materials Project". United States. doi:10.17188/1192258. https://www.osti.gov/servlets/purl/1192258. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1192258,
title = {Materials Data on Ce(Al10Co)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ce(CoAl10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to sixteen Al atoms. There are four shorter (3.12 Å) and twelve longer (3.21 Å) Ce–Al bond lengths. Co is bonded to twelve Al atoms to form corner-sharing CoAl12 cuboctahedra. There are six shorter (2.55 Å) and six longer (2.76 Å) Co–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted linear geometry to two equivalent Ce and twelve equivalent Al atoms. All Al–Al bond lengths are 3.09 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Co and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.82 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to one Ce, one Co, and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.88 Å.},
doi = {10.17188/1192258},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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