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Title: Materials Data on FeSbAs by Materials Project

Abstract

FeSbAs crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Fe3+ is bonded to three equivalent Sb2- and three equivalent As1- atoms to form FeSb3As3 octahedra that share corners with eight equivalent FeSb3As3 octahedra, corners with three equivalent SbFe3As tetrahedra, corners with three equivalent AsFe3Sb tetrahedra, and edges with two equivalent FeSb3As3 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are one shorter (2.55 Å) and two longer (2.59 Å) Fe–Sb bond lengths. There are one shorter (2.38 Å) and two longer (2.39 Å) Fe–As bond lengths. Sb2- is bonded to three equivalent Fe3+ and one As1- atom to form distorted SbFe3As tetrahedra that share corners with three equivalent FeSb3As3 octahedra, corners with six equivalent SbFe3As tetrahedra, corners with seven equivalent AsFe3Sb tetrahedra, and an edgeedge with one AsFe3Sb tetrahedra. The corner-sharing octahedra tilt angles range from 72–76°. The Sb–As bond length is 2.73 Å. As1- is bonded to three equivalent Fe3+ and one Sb2- atom to form distorted AsFe3Sb tetrahedra that share corners with three equivalent FeSb3As3 octahedra, corners with six equivalent AsFe3Sb tetrahedra, corners with seven equivalent SbFe3As tetrahedra, and an edgeedge with one SbFe3As tetrahedra. The corner-sharing octahedra tilt angles range from 70–75°.

Publication Date:
Other Number(s):
mp-988996
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; FeSbAs; As-Fe-Sb
OSTI Identifier:
1316776
DOI:
https://doi.org/10.17188/1316776

Citation Formats

The Materials Project. Materials Data on FeSbAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316776.
The Materials Project. Materials Data on FeSbAs by Materials Project. United States. doi:https://doi.org/10.17188/1316776
The Materials Project. 2020. "Materials Data on FeSbAs by Materials Project". United States. doi:https://doi.org/10.17188/1316776. https://www.osti.gov/servlets/purl/1316776. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316776,
title = {Materials Data on FeSbAs by Materials Project},
author = {The Materials Project},
abstractNote = {FeSbAs crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Fe3+ is bonded to three equivalent Sb2- and three equivalent As1- atoms to form FeSb3As3 octahedra that share corners with eight equivalent FeSb3As3 octahedra, corners with three equivalent SbFe3As tetrahedra, corners with three equivalent AsFe3Sb tetrahedra, and edges with two equivalent FeSb3As3 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are one shorter (2.55 Å) and two longer (2.59 Å) Fe–Sb bond lengths. There are one shorter (2.38 Å) and two longer (2.39 Å) Fe–As bond lengths. Sb2- is bonded to three equivalent Fe3+ and one As1- atom to form distorted SbFe3As tetrahedra that share corners with three equivalent FeSb3As3 octahedra, corners with six equivalent SbFe3As tetrahedra, corners with seven equivalent AsFe3Sb tetrahedra, and an edgeedge with one AsFe3Sb tetrahedra. The corner-sharing octahedra tilt angles range from 72–76°. The Sb–As bond length is 2.73 Å. As1- is bonded to three equivalent Fe3+ and one Sb2- atom to form distorted AsFe3Sb tetrahedra that share corners with three equivalent FeSb3As3 octahedra, corners with six equivalent AsFe3Sb tetrahedra, corners with seven equivalent SbFe3As tetrahedra, and an edgeedge with one SbFe3As tetrahedra. The corner-sharing octahedra tilt angles range from 70–75°.},
doi = {10.17188/1316776},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}