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Title: Materials Data on CeFeSi2 by Materials Project

Abstract

CeFeSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to four equivalent Fe and ten Si atoms. There are two shorter (3.06 Å) and two longer (3.09 Å) Ce–Fe bond lengths. There are a spread of Ce–Si bond distances ranging from 3.11–3.16 Å. Fe is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Si atoms. There are two shorter (2.28 Å) and two longer (2.30 Å) Fe–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ce and three Si atoms. There are two shorter (2.34 Å) and one longer (2.46 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Fe, and one Si atom.

Authors:
Publication Date:
Other Number(s):
mp-1025450
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; CeFeSi2; Ce-Fe-Si
OSTI Identifier:
1355583
DOI:
https://doi.org/10.17188/1355583

Citation Formats

The Materials Project. Materials Data on CeFeSi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355583.
The Materials Project. Materials Data on CeFeSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1355583
The Materials Project. 2020. "Materials Data on CeFeSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1355583. https://www.osti.gov/servlets/purl/1355583. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1355583,
title = {Materials Data on CeFeSi2 by Materials Project},
author = {The Materials Project},
abstractNote = {CeFeSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to four equivalent Fe and ten Si atoms. There are two shorter (3.06 Å) and two longer (3.09 Å) Ce–Fe bond lengths. There are a spread of Ce–Si bond distances ranging from 3.11–3.16 Å. Fe is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Si atoms. There are two shorter (2.28 Å) and two longer (2.30 Å) Fe–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ce and three Si atoms. There are two shorter (2.34 Å) and one longer (2.46 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Fe, and one Si atom.},
doi = {10.17188/1355583},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}