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Title: Materials Data on Ba(FeSb3)4 by Materials Project

Abstract

BaFe4Sb12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent Sb1- atoms to form BaSb12 cuboctahedra that share faces with eight equivalent FeSb6 octahedra. All Ba–Sb bond lengths are 3.47 Å. Fe+2.50+ is bonded to six equivalent Sb1- atoms to form FeSb6 octahedra that share corners with six equivalent FeSb6 octahedra and faces with two equivalent BaSb12 cuboctahedra. The corner-sharing octahedral tilt angles are 53°. All Fe–Sb bond lengths are 2.58 Å. Sb1- is bonded in a 2-coordinate geometry to one Ba2+, two equivalent Fe+2.50+, and two equivalent Sb1- atoms. There are one shorter (3.00 Å) and one longer (3.02 Å) Sb–Sb bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-1189647
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; Ba(FeSb3)4; Ba-Fe-Sb
OSTI Identifier:
1758549
DOI:
https://doi.org/10.17188/1758549

Citation Formats

The Materials Project. Materials Data on Ba(FeSb3)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758549.
The Materials Project. Materials Data on Ba(FeSb3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1758549
The Materials Project. 2020. "Materials Data on Ba(FeSb3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1758549. https://www.osti.gov/servlets/purl/1758549. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758549,
title = {Materials Data on Ba(FeSb3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {BaFe4Sb12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent Sb1- atoms to form BaSb12 cuboctahedra that share faces with eight equivalent FeSb6 octahedra. All Ba–Sb bond lengths are 3.47 Å. Fe+2.50+ is bonded to six equivalent Sb1- atoms to form FeSb6 octahedra that share corners with six equivalent FeSb6 octahedra and faces with two equivalent BaSb12 cuboctahedra. The corner-sharing octahedral tilt angles are 53°. All Fe–Sb bond lengths are 2.58 Å. Sb1- is bonded in a 2-coordinate geometry to one Ba2+, two equivalent Fe+2.50+, and two equivalent Sb1- atoms. There are one shorter (3.00 Å) and one longer (3.02 Å) Sb–Sb bond lengths.},
doi = {10.17188/1758549},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}