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Title: Materials Data on Nb3(Fe10B3)2 by Materials Project

Abstract

Nb3(Fe10B3)2 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 distorted tetrahedral geometry to four equivalent Fe atoms. All Nb–Fe bond lengths are 2.50 Å. In the second Nb site, Nb is bonded in a distorted cuboctahedral geometry to twelve equivalent Fe atoms. All Nb–Fe bond lengths are 2.63 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted bent 150 degrees geometry to one Nb and two equivalent B atoms. Both Fe–B bond lengths are 2.13 Å. In the second Fe site, Fe is bonded to one Nb and three equivalent B atoms to form a mixture of distorted edge and corner-sharing FeNbB3 tetrahedra. All Fe–B bond lengths are 2.13 Å. B is bonded in a 8-coordinate geometry to eight Fe atoms.

Authors:
Publication Date:
Other Number(s):
mp-21666
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; Nb3(Fe10B3)2; B-Fe-Nb
OSTI Identifier:
1197103
DOI:
https://doi.org/10.17188/1197103

Citation Formats

The Materials Project. Materials Data on Nb3(Fe10B3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197103.
The Materials Project. Materials Data on Nb3(Fe10B3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1197103
The Materials Project. 2020. "Materials Data on Nb3(Fe10B3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1197103. https://www.osti.gov/servlets/purl/1197103. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1197103,
title = {Materials Data on Nb3(Fe10B3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb3(Fe10B3)2 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 distorted tetrahedral geometry to four equivalent Fe atoms. All Nb–Fe bond lengths are 2.50 Å. In the second Nb site, Nb is bonded in a distorted cuboctahedral geometry to twelve equivalent Fe atoms. All Nb–Fe bond lengths are 2.63 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted bent 150 degrees geometry to one Nb and two equivalent B atoms. Both Fe–B bond lengths are 2.13 Å. In the second Fe site, Fe is bonded to one Nb and three equivalent B atoms to form a mixture of distorted edge and corner-sharing FeNbB3 tetrahedra. All Fe–B bond lengths are 2.13 Å. B is bonded in a 8-coordinate geometry to eight Fe atoms.},
doi = {10.17188/1197103},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}