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Title: Materials Data on Y2Fe17 by Materials Project

Abstract

Y2Fe17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to nineteen Fe atoms. There are a spread of Y–Fe bond distances ranging from 3.02–3.26 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Y and ten Fe atoms to form FeY2Fe10 cuboctahedra that share corners with fourteen FeY2Fe10 cuboctahedra, edges with six equivalent FeY3Fe9 cuboctahedra, and faces with ten FeY2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.42–2.60 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Y and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.49–2.76 Å. In the third Fe site, Fe is bonded to three equivalent Y and nine Fe atoms to form a mixture of face, edge, and corner-sharing FeY3Fe9 cuboctahedra. There are two shorter (2.48 Å) and one longer (2.64 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Y and thirteen Fe atoms. The Fe–Fe bond length is 2.38 Å.

Authors:
Publication Date:
Other Number(s):
mp-1105569
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; Y2Fe17; Fe-Y
OSTI Identifier:
1740512
DOI:
https://doi.org/10.17188/1740512

Citation Formats

The Materials Project. Materials Data on Y2Fe17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740512.
The Materials Project. Materials Data on Y2Fe17 by Materials Project. United States. doi:https://doi.org/10.17188/1740512
The Materials Project. 2020. "Materials Data on Y2Fe17 by Materials Project". United States. doi:https://doi.org/10.17188/1740512. https://www.osti.gov/servlets/purl/1740512. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1740512,
title = {Materials Data on Y2Fe17 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2Fe17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to nineteen Fe atoms. There are a spread of Y–Fe bond distances ranging from 3.02–3.26 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Y and ten Fe atoms to form FeY2Fe10 cuboctahedra that share corners with fourteen FeY2Fe10 cuboctahedra, edges with six equivalent FeY3Fe9 cuboctahedra, and faces with ten FeY2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.42–2.60 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Y and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.49–2.76 Å. In the third Fe site, Fe is bonded to three equivalent Y and nine Fe atoms to form a mixture of face, edge, and corner-sharing FeY3Fe9 cuboctahedra. There are two shorter (2.48 Å) and one longer (2.64 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Y and thirteen Fe atoms. The Fe–Fe bond length is 2.38 Å.},
doi = {10.17188/1740512},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}