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Title: Materials Data on Nb3Fe by Materials Project

Abstract

Nb3Fe is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 8-coordinate geometry to eight equivalent Nb and six equivalent Fe atoms. All Nb–Nb bond lengths are 2.76 Å. All Nb–Fe bond lengths are 3.19 Å. In the second Nb site, Nb is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Fe atoms. All Nb–Fe bond lengths are 2.76 Å. Fe is bonded in a distorted body-centered cubic geometry to fourteen Nb atoms.

Authors:
Publication Date:
Other Number(s):
mp-999395
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; Nb3Fe; Fe-Nb
OSTI Identifier:
1317564
DOI:
https://doi.org/10.17188/1317564

Citation Formats

The Materials Project. Materials Data on Nb3Fe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317564.
The Materials Project. Materials Data on Nb3Fe by Materials Project. United States. doi:https://doi.org/10.17188/1317564
The Materials Project. 2020. "Materials Data on Nb3Fe by Materials Project". United States. doi:https://doi.org/10.17188/1317564. https://www.osti.gov/servlets/purl/1317564. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1317564,
title = {Materials Data on Nb3Fe by Materials Project},
author = {The Materials Project},
abstractNote = {Nb3Fe is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 8-coordinate geometry to eight equivalent Nb and six equivalent Fe atoms. All Nb–Nb bond lengths are 2.76 Å. All Nb–Fe bond lengths are 3.19 Å. In the second Nb site, Nb is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Fe atoms. All Nb–Fe bond lengths are 2.76 Å. Fe is bonded in a distorted body-centered cubic geometry to fourteen Nb atoms.},
doi = {10.17188/1317564},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}