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Title: Materials Data on VFeSb by Materials Project

Abstract

FeVSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded to six equivalent Fe and five equivalent Sb atoms to form distorted VFe6Sb5 trigonal bipyramids that share corners with eight equivalent VFe6Sb5 trigonal bipyramids, corners with twelve equivalent SbV5Fe6 trigonal bipyramids, edges with three equivalent SbV5Fe6 trigonal bipyramids, faces with five equivalent SbV5Fe6 trigonal bipyramids, and faces with twelve equivalent VFe6Sb5 trigonal bipyramids. All V–Fe bond lengths are 2.95 Å. There are three shorter (2.63 Å) and two longer (2.69 Å) V–Sb bond lengths. Fe is bonded in a 12-coordinate geometry to six equivalent V, two equivalent Fe, and six equivalent Sb atoms. Both Fe–Fe bond lengths are 2.69 Å. All Fe–Sb bond lengths are 2.95 Å. Sb is bonded to five equivalent V and six equivalent Fe atoms to form distorted SbV5Fe6 trigonal bipyramids that share corners with eight equivalent SbV5Fe6 trigonal bipyramids, corners with twelve equivalent VFe6Sb5 trigonal bipyramids, edges with three equivalent VFe6Sb5 trigonal bipyramids, faces with five equivalent VFe6Sb5 trigonal bipyramids, and faces with twelve equivalent SbV5Fe6 trigonal bipyramids.

Authors:
Publication Date:
Other Number(s):
mp-1077808
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; VFeSb; Fe-Sb-V
OSTI Identifier:
1724033
DOI:
https://doi.org/10.17188/1724033

Citation Formats

The Materials Project. Materials Data on VFeSb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1724033.
The Materials Project. Materials Data on VFeSb by Materials Project. United States. doi:https://doi.org/10.17188/1724033
The Materials Project. 2020. "Materials Data on VFeSb by Materials Project". United States. doi:https://doi.org/10.17188/1724033. https://www.osti.gov/servlets/purl/1724033. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1724033,
title = {Materials Data on VFeSb by Materials Project},
author = {The Materials Project},
abstractNote = {FeVSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded to six equivalent Fe and five equivalent Sb atoms to form distorted VFe6Sb5 trigonal bipyramids that share corners with eight equivalent VFe6Sb5 trigonal bipyramids, corners with twelve equivalent SbV5Fe6 trigonal bipyramids, edges with three equivalent SbV5Fe6 trigonal bipyramids, faces with five equivalent SbV5Fe6 trigonal bipyramids, and faces with twelve equivalent VFe6Sb5 trigonal bipyramids. All V–Fe bond lengths are 2.95 Å. There are three shorter (2.63 Å) and two longer (2.69 Å) V–Sb bond lengths. Fe is bonded in a 12-coordinate geometry to six equivalent V, two equivalent Fe, and six equivalent Sb atoms. Both Fe–Fe bond lengths are 2.69 Å. All Fe–Sb bond lengths are 2.95 Å. Sb is bonded to five equivalent V and six equivalent Fe atoms to form distorted SbV5Fe6 trigonal bipyramids that share corners with eight equivalent SbV5Fe6 trigonal bipyramids, corners with twelve equivalent VFe6Sb5 trigonal bipyramids, edges with three equivalent VFe6Sb5 trigonal bipyramids, faces with five equivalent VFe6Sb5 trigonal bipyramids, and faces with twelve equivalent SbV5Fe6 trigonal bipyramids.},
doi = {10.17188/1724033},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}