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Title: Materials Data on Ce(Al5Fe)2 by Materials Project

Abstract

Al10Fe2Ce crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to four equivalent Fe and sixteen Al atoms. All Ce–Fe bond lengths are 3.41 Å. There are a spread of Ce–Al bond distances ranging from 3.12–3.62 Å. Fe is bonded in a 10-coordinate geometry to two equivalent Ce and ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.52–2.71 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.61–2.82 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to one Ce, two equivalent Fe, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–3.02 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.57–2.75 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to one Ce, two equivalentmore » Fe, and eight Al atoms. There are one shorter (2.70 Å) and two longer (2.78 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Fe, and eight Al atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1193938
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(Al5Fe)2; Al-Ce-Fe
OSTI Identifier:
1733464
DOI:
https://doi.org/10.17188/1733464

Citation Formats

The Materials Project. Materials Data on Ce(Al5Fe)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1733464.
The Materials Project. Materials Data on Ce(Al5Fe)2 by Materials Project. United States. doi:https://doi.org/10.17188/1733464
The Materials Project. 2020. "Materials Data on Ce(Al5Fe)2 by Materials Project". United States. doi:https://doi.org/10.17188/1733464. https://www.osti.gov/servlets/purl/1733464. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1733464,
title = {Materials Data on Ce(Al5Fe)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Al10Fe2Ce crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to four equivalent Fe and sixteen Al atoms. All Ce–Fe bond lengths are 3.41 Å. There are a spread of Ce–Al bond distances ranging from 3.12–3.62 Å. Fe is bonded in a 10-coordinate geometry to two equivalent Ce and ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.52–2.71 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.61–2.82 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to one Ce, two equivalent Fe, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–3.02 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.57–2.75 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to one Ce, two equivalent Fe, and eight Al atoms. There are one shorter (2.70 Å) and two longer (2.78 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Fe, and eight Al atoms.},
doi = {10.17188/1733464},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}