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Title: Materials Data on Lu2Al3Fe by Materials Project

Abstract

Lu2FeAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to four equivalent Lu, three equivalent Fe, and nine equivalent Al atoms. All Lu–Lu bond lengths are 3.28 Å. All Lu–Fe bond lengths are 3.16 Å. There are three shorter (3.09 Å) and six longer (3.16 Å) Lu–Al bond lengths. Fe is bonded to six equivalent Lu and six equivalent Al atoms to form FeLu6Al6 cuboctahedra that share corners with six equivalent FeLu6Al6 cuboctahedra, corners with twelve equivalent AlLu6Al4Fe2 cuboctahedra, edges with six equivalent FeLu6Al6 cuboctahedra, and faces with eighteen equivalent AlLu6Al4Fe2 cuboctahedra. All Fe–Al bond lengths are 2.66 Å. Al is bonded to six equivalent Lu, two equivalent Fe, and four equivalent Al atoms to form AlLu6Al4Fe2 cuboctahedra that share corners with four equivalent FeLu6Al6 cuboctahedra, corners with fourteen equivalent AlLu6Al4Fe2 cuboctahedra, edges with six equivalent AlLu6Al4Fe2 cuboctahedra, faces with six equivalent FeLu6Al6 cuboctahedra, and faces with twelve equivalent AlLu6Al4Fe2 cuboctahedra. All Al–Al bond lengths are 2.70 Å.

Publication Date:
Other Number(s):
mp-1222342
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; Lu2Al3Fe; Al-Fe-Lu
OSTI Identifier:
1709138
DOI:
https://doi.org/10.17188/1709138

Citation Formats

The Materials Project. Materials Data on Lu2Al3Fe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1709138.
The Materials Project. Materials Data on Lu2Al3Fe by Materials Project. United States. doi:https://doi.org/10.17188/1709138
The Materials Project. 2020. "Materials Data on Lu2Al3Fe by Materials Project". United States. doi:https://doi.org/10.17188/1709138. https://www.osti.gov/servlets/purl/1709138. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1709138,
title = {Materials Data on Lu2Al3Fe by Materials Project},
author = {The Materials Project},
abstractNote = {Lu2FeAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to four equivalent Lu, three equivalent Fe, and nine equivalent Al atoms. All Lu–Lu bond lengths are 3.28 Å. All Lu–Fe bond lengths are 3.16 Å. There are three shorter (3.09 Å) and six longer (3.16 Å) Lu–Al bond lengths. Fe is bonded to six equivalent Lu and six equivalent Al atoms to form FeLu6Al6 cuboctahedra that share corners with six equivalent FeLu6Al6 cuboctahedra, corners with twelve equivalent AlLu6Al4Fe2 cuboctahedra, edges with six equivalent FeLu6Al6 cuboctahedra, and faces with eighteen equivalent AlLu6Al4Fe2 cuboctahedra. All Fe–Al bond lengths are 2.66 Å. Al is bonded to six equivalent Lu, two equivalent Fe, and four equivalent Al atoms to form AlLu6Al4Fe2 cuboctahedra that share corners with four equivalent FeLu6Al6 cuboctahedra, corners with fourteen equivalent AlLu6Al4Fe2 cuboctahedra, edges with six equivalent AlLu6Al4Fe2 cuboctahedra, faces with six equivalent FeLu6Al6 cuboctahedra, and faces with twelve equivalent AlLu6Al4Fe2 cuboctahedra. All Al–Al bond lengths are 2.70 Å.},
doi = {10.17188/1709138},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}