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Title: Materials Data on CeYFe17 by Materials Project

Abstract

CeYFe17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to twenty Fe atoms. There are a spread of Ce–Fe bond distances ranging from 2.96–3.21 Å. Y is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.97–3.28 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Ce and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.38–2.79 Å. In the second Fe site, Fe is bonded to one Ce, two equivalent Y, and nine Fe atoms to form a mixture of corner, edge, and face-sharing FeCeY2Fe9 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.45–2.61 Å. In the third Fe site, Fe is bonded to two equivalent Ce and ten Fe atoms to form a mixture of corner, edge, and face-sharing FeCe2Fe10 cuboctahedra. All Fe–Fe bond lengths are 2.46 Å. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to one Ce, one Y, and ten Fe atoms. There are one shorter (2.47 Å) and one longermore » (2.57 Å) Fe–Fe bond lengths.« less

Authors:
Publication Date:
Other Number(s):
mp-1226946
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; CeYFe17; Ce-Fe-Y
OSTI Identifier:
1751782
DOI:
https://doi.org/10.17188/1751782

Citation Formats

The Materials Project. Materials Data on CeYFe17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751782.
The Materials Project. Materials Data on CeYFe17 by Materials Project. United States. doi:https://doi.org/10.17188/1751782
The Materials Project. 2020. "Materials Data on CeYFe17 by Materials Project". United States. doi:https://doi.org/10.17188/1751782. https://www.osti.gov/servlets/purl/1751782. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1751782,
title = {Materials Data on CeYFe17 by Materials Project},
author = {The Materials Project},
abstractNote = {CeYFe17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to twenty Fe atoms. There are a spread of Ce–Fe bond distances ranging from 2.96–3.21 Å. Y is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.97–3.28 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Ce and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.38–2.79 Å. In the second Fe site, Fe is bonded to one Ce, two equivalent Y, and nine Fe atoms to form a mixture of corner, edge, and face-sharing FeCeY2Fe9 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.45–2.61 Å. In the third Fe site, Fe is bonded to two equivalent Ce and ten Fe atoms to form a mixture of corner, edge, and face-sharing FeCe2Fe10 cuboctahedra. All Fe–Fe bond lengths are 2.46 Å. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to one Ce, one Y, and ten Fe atoms. There are one shorter (2.47 Å) and one longer (2.57 Å) Fe–Fe bond lengths.},
doi = {10.17188/1751782},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}