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Title: Materials Data on UFe5Sn by Materials Project

Abstract

UFe5Sn is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U is bonded in a 2-coordinate geometry to fifteen Fe and four equivalent Sn atoms. There are a spread of U–Fe bond distances ranging from 2.61–3.32 Å. There are a spread of U–Sn bond distances ranging from 3.25–3.32 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 11-coordinate geometry to three equivalent U, five Fe, and three equivalent Sn atoms. There are a spread of Fe–Fe bond distances ranging from 2.48–2.76 Å. There are one shorter (2.61 Å) and two longer (2.86 Å) Fe–Sn bond lengths. In the second Fe site, Fe is bonded in a 2-coordinate geometry to three equivalent U, six Fe, and one Sn atom. There are a spread of Fe–Fe bond distances ranging from 2.43–2.51 Å. The Fe–Sn bond length is 2.74 Å. In the third Fe site, Fe is bonded to three equivalent U, seven Fe, and two equivalent Sn atoms to form a mixture of distorted face, edge, and corner-sharing FeU3Fe7Sn2 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.34–2.46 Å. There are onemore » shorter (2.71 Å) and one longer (2.73 Å) Fe–Sn bond lengths. In the fourth Fe site, Fe is bonded to three equivalent U, seven Fe, and two equivalent Sn atoms to form a mixture of distorted face, edge, and corner-sharing FeU3Fe7Sn2 cuboctahedra. Both Fe–Sn bond lengths are 2.66 Å. Sn is bonded in a 1-coordinate geometry to four equivalent U and ten Fe atoms.« less

Publication Date:
Other Number(s):
mp-21701
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; UFe5Sn; Fe-Sn-U
OSTI Identifier:
1197124
DOI:
https://doi.org/10.17188/1197124

Citation Formats

The Materials Project. Materials Data on UFe5Sn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197124.
The Materials Project. Materials Data on UFe5Sn by Materials Project. United States. doi:https://doi.org/10.17188/1197124
The Materials Project. 2020. "Materials Data on UFe5Sn by Materials Project". United States. doi:https://doi.org/10.17188/1197124. https://www.osti.gov/servlets/purl/1197124. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1197124,
title = {Materials Data on UFe5Sn by Materials Project},
author = {The Materials Project},
abstractNote = {UFe5Sn is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U is bonded in a 2-coordinate geometry to fifteen Fe and four equivalent Sn atoms. There are a spread of U–Fe bond distances ranging from 2.61–3.32 Å. There are a spread of U–Sn bond distances ranging from 3.25–3.32 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 11-coordinate geometry to three equivalent U, five Fe, and three equivalent Sn atoms. There are a spread of Fe–Fe bond distances ranging from 2.48–2.76 Å. There are one shorter (2.61 Å) and two longer (2.86 Å) Fe–Sn bond lengths. In the second Fe site, Fe is bonded in a 2-coordinate geometry to three equivalent U, six Fe, and one Sn atom. There are a spread of Fe–Fe bond distances ranging from 2.43–2.51 Å. The Fe–Sn bond length is 2.74 Å. In the third Fe site, Fe is bonded to three equivalent U, seven Fe, and two equivalent Sn atoms to form a mixture of distorted face, edge, and corner-sharing FeU3Fe7Sn2 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.34–2.46 Å. There are one shorter (2.71 Å) and one longer (2.73 Å) Fe–Sn bond lengths. In the fourth Fe site, Fe is bonded to three equivalent U, seven Fe, and two equivalent Sn atoms to form a mixture of distorted face, edge, and corner-sharing FeU3Fe7Sn2 cuboctahedra. Both Fe–Sn bond lengths are 2.66 Å. Sn is bonded in a 1-coordinate geometry to four equivalent U and ten Fe atoms.},
doi = {10.17188/1197124},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}