Title: Materials Data on FeAu3 by Materials Project

Abstract

FeAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Fe3+ is bonded in a distorted body-centered cubic geometry to fourteen Au1- atoms. There are eight shorter (2.81 Å) and six longer (3.24 Å) Fe–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to four equivalent Fe3+ and four equivalent Au1- atoms to form a mixture of distorted edge, face, and corner-sharing AuFe4Au4 tetrahedra. All Au–Au bond lengths are 2.81 Å. In the second Au1- site, Au1- is bonded in a 8-coordinate geometry to six equivalent Fe3+ and eight equivalent Au1- atoms.

Publication Date:
Other Number(s):
mp-973557
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Au-Fe; crystal structure; FeAu3
OSTI Identifier:
1314143
DOI:
https://doi.org/10.17188/1314143

Citation Formats

Materials Data on FeAu3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314143.
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Materials Data on FeAu3 by Materials Project. United States. doi:https://doi.org/10.17188/1314143
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2020. "Materials Data on FeAu3 by Materials Project". United States. doi:https://doi.org/10.17188/1314143. https://www.osti.gov/servlets/purl/1314143. Pub date:Mon Jul 20 20:00:00 EDT 2020
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@article{osti_1314143,
title = {Materials Data on FeAu3 by Materials Project},
abstractNote = {FeAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Fe3+ is bonded in a distorted body-centered cubic geometry to fourteen Au1- atoms. There are eight shorter (2.81 Å) and six longer (3.24 Å) Fe–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to four equivalent Fe3+ and four equivalent Au1- atoms to form a mixture of distorted edge, face, and corner-sharing AuFe4Au4 tetrahedra. All Au–Au bond lengths are 2.81 Å. In the second Au1- site, Au1- is bonded in a 8-coordinate geometry to six equivalent Fe3+ and eight equivalent Au1- atoms.},
doi = {10.17188/1314143},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1314143
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