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Materials Data on FeAg3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1282198· OSTI ID:1282198
FeAg3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Fe is bonded in a distorted body-centered cubic geometry to fourteen Ag atoms. There are eight shorter (2.80 Å) and six longer (3.23 Å) Fe–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a distorted body-centered cubic geometry to four equivalent Fe and four equivalent Ag atoms. All Ag–Ag bond lengths are 2.80 Å. In the second Ag site, Ag is bonded in a 8-coordinate geometry to six equivalent Fe and eight equivalent Ag atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1282198
Report Number(s):
mp-973533
Country of Publication:
United States
Language:
English

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