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Title: Materials Data on Lu2Fe17 by Materials Project

Abstract

Lu2Fe17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to eighteen Fe atoms. There are a spread of Lu–Fe bond distances ranging from 2.95–3.26 Å. In the second Lu site, Lu is bonded in a 8-coordinate geometry to twenty Fe atoms. There are a spread of Lu–Fe bond distances ranging from 2.92–3.18 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Lu and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.37–2.77 Å. In the second Fe site, Fe is bonded to two equivalent Lu and ten Fe atoms to form FeLu2Fe10 cuboctahedra that share corners with fourteen FeLu2Fe10 cuboctahedra, edges with six equivalent FeLu3Fe9 cuboctahedra, and faces with ten FeLu2Fe10 cuboctahedra. There are four shorter (2.43 Å) and four longer (2.45 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two Lu and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.45–2.57 Å. In the fourth Fe site,more » Fe is bonded to three Lu and nine Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeLu3Fe9 cuboctahedra. Both Fe–Fe bond lengths are 2.44 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1195842
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; Lu2Fe17; Fe-Lu
OSTI Identifier:
1749380
DOI:
https://doi.org/10.17188/1749380

Citation Formats

The Materials Project. Materials Data on Lu2Fe17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749380.
The Materials Project. Materials Data on Lu2Fe17 by Materials Project. United States. doi:https://doi.org/10.17188/1749380
The Materials Project. 2020. "Materials Data on Lu2Fe17 by Materials Project". United States. doi:https://doi.org/10.17188/1749380. https://www.osti.gov/servlets/purl/1749380. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1749380,
title = {Materials Data on Lu2Fe17 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu2Fe17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to eighteen Fe atoms. There are a spread of Lu–Fe bond distances ranging from 2.95–3.26 Å. In the second Lu site, Lu is bonded in a 8-coordinate geometry to twenty Fe atoms. There are a spread of Lu–Fe bond distances ranging from 2.92–3.18 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Lu and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.37–2.77 Å. In the second Fe site, Fe is bonded to two equivalent Lu and ten Fe atoms to form FeLu2Fe10 cuboctahedra that share corners with fourteen FeLu2Fe10 cuboctahedra, edges with six equivalent FeLu3Fe9 cuboctahedra, and faces with ten FeLu2Fe10 cuboctahedra. There are four shorter (2.43 Å) and four longer (2.45 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two Lu and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.45–2.57 Å. In the fourth Fe site, Fe is bonded to three Lu and nine Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeLu3Fe9 cuboctahedra. Both Fe–Fe bond lengths are 2.44 Å.},
doi = {10.17188/1749380},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}