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Title: Materials Data on Fe3Sn by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1698645· OSTI ID:1698645

Fe3Sn crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 9-coordinate geometry to five Fe and four equivalent Sn atoms. There are one shorter (2.42 Å) and four longer (2.56 Å) Fe–Fe bond lengths. All Fe–Sn bond lengths are 2.77 Å. In the second Fe site, Fe is bonded in a distorted q6 geometry to eight equivalent Fe and two equivalent Sn atoms. Both Fe–Sn bond lengths are 2.82 Å. Sn is bonded in a 10-coordinate geometry to ten Fe atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1698645
Report Number(s):
mp-1225154
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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