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

Abstract

LuFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All Lu–Fe bond lengths are 3.31 Å. There are four shorter (2.94 Å) and eight longer (3.14 Å) Lu–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Lu, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.51 Å. There are four shorter (2.51 Å) and four longer (2.62 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 Lu, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.80 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Lu, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.68 Å.

Publication Date:
Other Number(s):
mp-11037
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; Lu(Al2Fe)4; Al-Fe-Lu
OSTI Identifier:
1187540
DOI:
https://doi.org/10.17188/1187540

Citation Formats

The Materials Project. Materials Data on Lu(Al2Fe)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187540.
The Materials Project. Materials Data on Lu(Al2Fe)4 by Materials Project. United States. doi:https://doi.org/10.17188/1187540
The Materials Project. 2020. "Materials Data on Lu(Al2Fe)4 by Materials Project". United States. doi:https://doi.org/10.17188/1187540. https://www.osti.gov/servlets/purl/1187540. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1187540,
title = {Materials Data on Lu(Al2Fe)4 by Materials Project},
author = {The Materials Project},
abstractNote = {LuFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All Lu–Fe bond lengths are 3.31 Å. There are four shorter (2.94 Å) and eight longer (3.14 Å) Lu–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Lu, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.51 Å. There are four shorter (2.51 Å) and four longer (2.62 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 Lu, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.80 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Lu, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.68 Å.},
doi = {10.17188/1187540},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}