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Title: Materials Data on Fe2Sn by Materials Project

Abstract

Fe2Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to eight Fe and six equivalent Sn atoms. There are two shorter (2.63 Å) and six longer (2.87 Å) Fe–Fe bond lengths. All Fe–Sn bond lengths are 2.87 Å. In the second Fe site, Fe is bonded to six equivalent Fe and five equivalent Sn atoms to form a mixture of distorted corner and face-sharing FeFe6Sn5 trigonal bipyramids. There are three shorter (2.55 Å) and two longer (2.63 Å) Fe–Sn bond lengths. Sn is bonded in a 5-coordinate geometry to eleven Fe atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-510164
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; Fe2Sn; Fe-Sn
OSTI Identifier:
1262847
DOI:
10.17188/1262847

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Fe2Sn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262847.
Persson, Kristin, & Project, Materials. Materials Data on Fe2Sn by Materials Project. United States. doi:10.17188/1262847.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Fe2Sn by Materials Project". United States. doi:10.17188/1262847. https://www.osti.gov/servlets/purl/1262847. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1262847,
title = {Materials Data on Fe2Sn by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Fe2Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to eight Fe and six equivalent Sn atoms. There are two shorter (2.63 Å) and six longer (2.87 Å) Fe–Fe bond lengths. All Fe–Sn bond lengths are 2.87 Å. In the second Fe site, Fe is bonded to six equivalent Fe and five equivalent Sn atoms to form a mixture of distorted corner and face-sharing FeFe6Sn5 trigonal bipyramids. There are three shorter (2.55 Å) and two longer (2.63 Å) Fe–Sn bond lengths. Sn is bonded in a 5-coordinate geometry to eleven Fe atoms.},
doi = {10.17188/1262847},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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