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Title: Materials Data on Fe3Sn by Materials Project

Abstract

Fe3Sn 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 to eight Fe and four equivalent Sn atoms to form distorted FeFe8Sn4 cuboctahedra that share corners with four equivalent SnFe12 cuboctahedra, corners with fourteen FeFe8Sn4 cuboctahedra, edges with six equivalent SnFe12 cuboctahedra, edges with twelve FeFe8Sn4 cuboctahedra, faces with four equivalent SnFe12 cuboctahedra, and faces with sixteen FeFe8Sn4 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.48–3.00 Å. There are two shorter (2.75 Å) and two longer (2.77 Å) Fe–Sn bond lengths. In the second Fe site, Fe is bonded to eight equivalent Fe and four equivalent Sn atoms to form distorted FeFe8Sn4 cuboctahedra that share corners with four equivalent SnFe12 cuboctahedra, corners with fourteen FeFe8Sn4 cuboctahedra, edges with six equivalent SnFe12 cuboctahedra, edges with twelve equivalent FeFe8Sn4 cuboctahedra, faces with four equivalent SnFe12 cuboctahedra, and faces with sixteen FeFe8Sn4 cuboctahedra. There are two shorter (2.75 Å) and two longer (2.77 Å) Fe–Sn bond lengths. Sn is bonded to twelve Fe atoms to form SnFe12 cuboctahedra that share corners with six equivalent SnFe12 cuboctahedra, corners with twelve FeFe8Sn4 cuboctahedra, edges withmore » eighteen FeFe8Sn4 cuboctahedra, faces with eight equivalent SnFe12 cuboctahedra, and faces with twelve FeFe8Sn4 cuboctahedra.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1196079
Report Number(s):
mp-20883
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Fe3Sn; Fe-Sn

Citation Formats

The Materials Project. Materials Data on Fe3Sn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1196079.
The Materials Project. Materials Data on Fe3Sn by Materials Project. United States. https://doi.org/10.17188/1196079
The Materials Project. 2020. "Materials Data on Fe3Sn by Materials Project". United States. https://doi.org/10.17188/1196079. https://www.osti.gov/servlets/purl/1196079.
@article{osti_1196079,
title = {Materials Data on Fe3Sn by Materials Project},
author = {The Materials Project},
abstractNote = {Fe3Sn 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 to eight Fe and four equivalent Sn atoms to form distorted FeFe8Sn4 cuboctahedra that share corners with four equivalent SnFe12 cuboctahedra, corners with fourteen FeFe8Sn4 cuboctahedra, edges with six equivalent SnFe12 cuboctahedra, edges with twelve FeFe8Sn4 cuboctahedra, faces with four equivalent SnFe12 cuboctahedra, and faces with sixteen FeFe8Sn4 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.48–3.00 Å. There are two shorter (2.75 Å) and two longer (2.77 Å) Fe–Sn bond lengths. In the second Fe site, Fe is bonded to eight equivalent Fe and four equivalent Sn atoms to form distorted FeFe8Sn4 cuboctahedra that share corners with four equivalent SnFe12 cuboctahedra, corners with fourteen FeFe8Sn4 cuboctahedra, edges with six equivalent SnFe12 cuboctahedra, edges with twelve equivalent FeFe8Sn4 cuboctahedra, faces with four equivalent SnFe12 cuboctahedra, and faces with sixteen FeFe8Sn4 cuboctahedra. There are two shorter (2.75 Å) and two longer (2.77 Å) Fe–Sn bond lengths. Sn is bonded to twelve Fe atoms to form SnFe12 cuboctahedra that share corners with six equivalent SnFe12 cuboctahedra, corners with twelve FeFe8Sn4 cuboctahedra, edges with eighteen FeFe8Sn4 cuboctahedra, faces with eight equivalent SnFe12 cuboctahedra, and faces with twelve FeFe8Sn4 cuboctahedra.},
doi = {10.17188/1196079},
url = {https://www.osti.gov/biblio/1196079}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}