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Title: Materials Data on FeNiSb4 by Materials Project

Abstract

FeNiSb4 is Marcasite-derived structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Fe3+ is bonded to six Sb+1.25- atoms to form FeSb6 octahedra that share corners with eight equivalent NiSb6 octahedra and edges with two equivalent FeSb6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are two shorter (2.54 Å) and four longer (2.57 Å) Fe–Sb bond lengths. Ni2+ is bonded to six Sb+1.25- atoms to form NiSb6 octahedra that share corners with eight equivalent FeSb6 octahedra and edges with two equivalent NiSb6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. All Ni–Sb bond lengths are 2.60 Å. There are two inequivalent Sb+1.25- sites. In the first Sb+1.25- site, Sb+1.25- is bonded in a 4-coordinate geometry to one Fe3+ and two equivalent Ni2+ atoms. In the second Sb+1.25- site, Sb+1.25- is bonded in a 4-coordinate geometry to two equivalent Fe3+ and one Ni2+ atom.

Publication Date:
Other Number(s):
mp-1224810
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; FeNiSb4; Fe-Ni-Sb
OSTI Identifier:
1727167
DOI:
https://doi.org/10.17188/1727167

Citation Formats

The Materials Project. Materials Data on FeNiSb4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727167.
The Materials Project. Materials Data on FeNiSb4 by Materials Project. United States. doi:https://doi.org/10.17188/1727167
The Materials Project. 2020. "Materials Data on FeNiSb4 by Materials Project". United States. doi:https://doi.org/10.17188/1727167. https://www.osti.gov/servlets/purl/1727167. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1727167,
title = {Materials Data on FeNiSb4 by Materials Project},
author = {The Materials Project},
abstractNote = {FeNiSb4 is Marcasite-derived structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Fe3+ is bonded to six Sb+1.25- atoms to form FeSb6 octahedra that share corners with eight equivalent NiSb6 octahedra and edges with two equivalent FeSb6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are two shorter (2.54 Å) and four longer (2.57 Å) Fe–Sb bond lengths. Ni2+ is bonded to six Sb+1.25- atoms to form NiSb6 octahedra that share corners with eight equivalent FeSb6 octahedra and edges with two equivalent NiSb6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. All Ni–Sb bond lengths are 2.60 Å. There are two inequivalent Sb+1.25- sites. In the first Sb+1.25- site, Sb+1.25- is bonded in a 4-coordinate geometry to one Fe3+ and two equivalent Ni2+ atoms. In the second Sb+1.25- site, Sb+1.25- is bonded in a 4-coordinate geometry to two equivalent Fe3+ and one Ni2+ atom.},
doi = {10.17188/1727167},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}