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Title: Materials Data on Ce(Al10V)2 by Materials Project

Abstract

CeV2Al20 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 (3.15 Å) and twelve longer (3.21 Å) Ce–Al bond lengths. V is bonded to twelve Al atoms to form VAl12 cuboctahedra that share corners with six equivalent VAl12 cuboctahedra, edges with eighteen equivalent AlCeAl10V cuboctahedra, and faces with six equivalent AlCeAl10V cuboctahedra. There are six shorter (2.58 Å) and six longer (2.82 Å) V–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent V and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.86 Å. In the second 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 3.10 Å. In the third Al site, Al is bonded to one Ce, one V, and ten Al atoms to form distorted AlCeAl10V cuboctahedra that share corners with fifteen equivalent AlCeAl10V cuboctahedra, edges with two equivalent AlCeAl10V cuboctahedra, edges with three equivalent VAl12 cuboctahedra, a faceface with one VAl12 cuboctahedra, and facesmore » with fifteen equivalent AlCeAl10V cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.71–2.93 Å.« less

Publication Date:
Other Number(s):
mp-1197724
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(Al10V)2; Al-Ce-V
OSTI Identifier:
1745157
DOI:
https://doi.org/10.17188/1745157

Citation Formats

The Materials Project. Materials Data on Ce(Al10V)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745157.
The Materials Project. Materials Data on Ce(Al10V)2 by Materials Project. United States. doi:https://doi.org/10.17188/1745157
The Materials Project. 2020. "Materials Data on Ce(Al10V)2 by Materials Project". United States. doi:https://doi.org/10.17188/1745157. https://www.osti.gov/servlets/purl/1745157. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1745157,
title = {Materials Data on Ce(Al10V)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CeV2Al20 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 (3.15 Å) and twelve longer (3.21 Å) Ce–Al bond lengths. V is bonded to twelve Al atoms to form VAl12 cuboctahedra that share corners with six equivalent VAl12 cuboctahedra, edges with eighteen equivalent AlCeAl10V cuboctahedra, and faces with six equivalent AlCeAl10V cuboctahedra. There are six shorter (2.58 Å) and six longer (2.82 Å) V–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent V and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.86 Å. In the second 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 3.10 Å. In the third Al site, Al is bonded to one Ce, one V, and ten Al atoms to form distorted AlCeAl10V cuboctahedra that share corners with fifteen equivalent AlCeAl10V cuboctahedra, edges with two equivalent AlCeAl10V cuboctahedra, edges with three equivalent VAl12 cuboctahedra, a faceface with one VAl12 cuboctahedra, and faces with fifteen equivalent AlCeAl10V cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.71–2.93 Å.},
doi = {10.17188/1745157},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}