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Title: Materials Data on NbFe3 by Materials Project

Abstract

Fe3Nb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. There are eight shorter (2.56 Å) and six longer (2.96 Å) Nb–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Fe atoms. All Fe–Fe bond lengths are 2.56 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to six equivalent Nb and eight equivalent Fe atoms.

Authors:
Publication Date:
Other Number(s):
mp-999389
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NbFe3; Fe-Nb
OSTI Identifier:
1317558
DOI:
https://doi.org/10.17188/1317558

Citation Formats

The Materials Project. Materials Data on NbFe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317558.
The Materials Project. Materials Data on NbFe3 by Materials Project. United States. doi:https://doi.org/10.17188/1317558
The Materials Project. 2020. "Materials Data on NbFe3 by Materials Project". United States. doi:https://doi.org/10.17188/1317558. https://www.osti.gov/servlets/purl/1317558. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1317558,
title = {Materials Data on NbFe3 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe3Nb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. There are eight shorter (2.56 Å) and six longer (2.96 Å) Nb–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Fe atoms. All Fe–Fe bond lengths are 2.56 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to six equivalent Nb and eight equivalent Fe atoms.},
doi = {10.17188/1317558},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}