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Title: Materials Data on CeBeAl3 by Materials Project

Abstract

BeCeAl3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Be is bonded in a 9-coordinate geometry to four equivalent Ce and five Al atoms. All Be–Ce bond lengths are 3.19 Å. There are one shorter (2.34 Å) and four longer (2.44 Å) Be–Al bond lengths. Ce is bonded in a 12-coordinate geometry to four equivalent Be and twelve Al atoms. There are a spread of Ce–Al bond distances ranging from 3.13–3.47 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to two equivalent Be, four equivalent Ce, and six Al atoms to form a mixture of distorted face, edge, and corner-sharing AlCe4Be2Al6 cuboctahedra. There are two shorter (2.68 Å) and four longer (2.94 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 1-coordinate geometry to one Be, four equivalent Ce, and four equivalent Al atoms.

Authors:
Publication Date:
Other Number(s):
mp-1226619
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; CeBeAl3; Al-Be-Ce
OSTI Identifier:
1715180
DOI:
https://doi.org/10.17188/1715180

Citation Formats

The Materials Project. Materials Data on CeBeAl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1715180.
The Materials Project. Materials Data on CeBeAl3 by Materials Project. United States. doi:https://doi.org/10.17188/1715180
The Materials Project. 2020. "Materials Data on CeBeAl3 by Materials Project". United States. doi:https://doi.org/10.17188/1715180. https://www.osti.gov/servlets/purl/1715180. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1715180,
title = {Materials Data on CeBeAl3 by Materials Project},
author = {The Materials Project},
abstractNote = {BeCeAl3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Be is bonded in a 9-coordinate geometry to four equivalent Ce and five Al atoms. All Be–Ce bond lengths are 3.19 Å. There are one shorter (2.34 Å) and four longer (2.44 Å) Be–Al bond lengths. Ce is bonded in a 12-coordinate geometry to four equivalent Be and twelve Al atoms. There are a spread of Ce–Al bond distances ranging from 3.13–3.47 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to two equivalent Be, four equivalent Ce, and six Al atoms to form a mixture of distorted face, edge, and corner-sharing AlCe4Be2Al6 cuboctahedra. There are two shorter (2.68 Å) and four longer (2.94 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 1-coordinate geometry to one Be, four equivalent Ce, and four equivalent Al atoms.},
doi = {10.17188/1715180},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}