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Title: Materials Data on Ce(FeAs3)4 by Materials Project

Abstract

CeFe4As12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent As+1.25- atoms to form CeAs12 cuboctahedra that share faces with eight equivalent FeAs6 octahedra. All Ce–As bond lengths are 3.13 Å. Fe3+ is bonded to six equivalent As+1.25- atoms to form FeAs6 octahedra that share corners with six equivalent FeAs6 octahedra and faces with two equivalent CeAs12 cuboctahedra. The corner-sharing octahedral tilt angles are 55°. All Fe–As bond lengths are 2.35 Å. As+1.25- is bonded in a 2-coordinate geometry to one Ce3+, two equivalent Fe3+, and two equivalent As+1.25- atoms. There are one shorter (2.60 Å) and one longer (2.63 Å) As–As bond lengths.

Publication Date:
Other Number(s):
mp-1021509
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(FeAs3)4; As-Ce-Fe
OSTI Identifier:
1351433
DOI:
10.17188/1351433

Citation Formats

The Materials Project. Materials Data on Ce(FeAs3)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1351433.
The Materials Project. Materials Data on Ce(FeAs3)4 by Materials Project. United States. doi:10.17188/1351433.
The Materials Project. 2020. "Materials Data on Ce(FeAs3)4 by Materials Project". United States. doi:10.17188/1351433. https://www.osti.gov/servlets/purl/1351433. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1351433,
title = {Materials Data on Ce(FeAs3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {CeFe4As12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent As+1.25- atoms to form CeAs12 cuboctahedra that share faces with eight equivalent FeAs6 octahedra. All Ce–As bond lengths are 3.13 Å. Fe3+ is bonded to six equivalent As+1.25- atoms to form FeAs6 octahedra that share corners with six equivalent FeAs6 octahedra and faces with two equivalent CeAs12 cuboctahedra. The corner-sharing octahedral tilt angles are 55°. All Fe–As bond lengths are 2.35 Å. As+1.25- is bonded in a 2-coordinate geometry to one Ce3+, two equivalent Fe3+, and two equivalent As+1.25- atoms. There are one shorter (2.60 Å) and one longer (2.63 Å) As–As bond lengths.},
doi = {10.17188/1351433},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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