DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on YFe12 by Materials Project

Abstract

YFe12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twenty Fe atoms. There are twelve shorter (3.03 Å) and eight longer (3.22 Å) Y–Fe bond lengths. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Y and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.41–2.90 Å. In the second Fe site, Fe is bonded to two equivalent Y and ten Fe atoms to form a mixture of edge, face, and corner-sharing FeY2Fe10 cuboctahedra. There are two shorter (2.35 Å) and four longer (2.43 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded to two equivalent Y and ten Fe atoms to form a mixture of distorted edge, face, and corner-sharing FeY2Fe10 cuboctahedra. Both Fe–Fe bond lengths are 2.71 Å.

Authors:
Publication Date:
Other Number(s):
mp-1104222
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; YFe12; Fe-Y
OSTI Identifier:
1688081
DOI:
https://doi.org/10.17188/1688081

Citation Formats

The Materials Project. Materials Data on YFe12 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1688081.
The Materials Project. Materials Data on YFe12 by Materials Project. United States. doi:https://doi.org/10.17188/1688081
The Materials Project. 2018. "Materials Data on YFe12 by Materials Project". United States. doi:https://doi.org/10.17188/1688081. https://www.osti.gov/servlets/purl/1688081. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1688081,
title = {Materials Data on YFe12 by Materials Project},
author = {The Materials Project},
abstractNote = {YFe12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twenty Fe atoms. There are twelve shorter (3.03 Å) and eight longer (3.22 Å) Y–Fe bond lengths. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Y and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.41–2.90 Å. In the second Fe site, Fe is bonded to two equivalent Y and ten Fe atoms to form a mixture of edge, face, and corner-sharing FeY2Fe10 cuboctahedra. There are two shorter (2.35 Å) and four longer (2.43 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded to two equivalent Y and ten Fe atoms to form a mixture of distorted edge, face, and corner-sharing FeY2Fe10 cuboctahedra. Both Fe–Fe bond lengths are 2.71 Å.},
doi = {10.17188/1688081},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}