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Title: Materials Data on Ce(Al2Fe)4 by Materials Project

Abstract

CeFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All Ce–Fe bond lengths are 3.34 Å. There are four shorter (3.00 Å) and eight longer (3.17 Å) Ce–Al bond lengths. Fe is bonded to two equivalent Ce, two equivalent Fe, and eight Al atoms to form a mixture of distorted edge, face, and corner-sharing FeCe2Al8Fe2 cuboctahedra. Both Fe–Fe bond lengths are 2.51 Å. There are four shorter (2.54 Å) and four longer (2.65 Å) Fe–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Ce, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.80 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ce, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.75 Å.

Authors:
Publication Date:
Other Number(s):
mp-16486
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; Ce(Al2Fe)4; Al-Ce-Fe
OSTI Identifier:
1191897
DOI:
https://doi.org/10.17188/1191897

Citation Formats

The Materials Project. Materials Data on Ce(Al2Fe)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191897.
The Materials Project. Materials Data on Ce(Al2Fe)4 by Materials Project. United States. doi:https://doi.org/10.17188/1191897
The Materials Project. 2020. "Materials Data on Ce(Al2Fe)4 by Materials Project". United States. doi:https://doi.org/10.17188/1191897. https://www.osti.gov/servlets/purl/1191897. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1191897,
title = {Materials Data on Ce(Al2Fe)4 by Materials Project},
author = {The Materials Project},
abstractNote = {CeFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All Ce–Fe bond lengths are 3.34 Å. There are four shorter (3.00 Å) and eight longer (3.17 Å) Ce–Al bond lengths. Fe is bonded to two equivalent Ce, two equivalent Fe, and eight Al atoms to form a mixture of distorted edge, face, and corner-sharing FeCe2Al8Fe2 cuboctahedra. Both Fe–Fe bond lengths are 2.51 Å. There are four shorter (2.54 Å) and four longer (2.65 Å) Fe–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Ce, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.80 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ce, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.75 Å.},
doi = {10.17188/1191897},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}