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Title: Materials Data on FeSbPt by Materials Project

Abstract

FePtSb crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to three equivalent Pt2- and one Sb1- atom to form distorted FeSbPt3 trigonal pyramids that share corners with three equivalent PtFe3Sb3 octahedra, corners with nine SbFePt3 tetrahedra, and corners with six equivalent FeSbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 75°. All Fe–Pt bond lengths are 2.38 Å. The Fe–Sb bond length is 2.48 Å. In the second Fe3+ site, Fe3+ is bonded to three Pt2- and one Sb1- atom to form distorted FeSbPt3 trigonal pyramids that share corners with three PtFe3Sb3 octahedra, corners with nine SbFePt3 tetrahedra, and corners with six FeSbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 75°. There are one shorter (2.38 Å) and two longer (2.39 Å) Fe–Pt bond lengths. The Fe–Sb bond length is 2.49 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to three Fe3+ and three Sb1- atoms to form distorted PtFe3Sb3 octahedra that share corners with twelve PtFe3Sb3 octahedra, corners with three SbFePt3 tetrahedra, and corners with three FeSbPt3 trigonal pyramids. The corner-sharing octahedra tilt anglesmore » range from 61–67°. There are one shorter (2.77 Å) and two longer (2.78 Å) Pt–Sb bond lengths. In the second Pt2- site, Pt2- is bonded to three equivalent Fe3+ and three equivalent Sb1- atoms to form distorted PtFe3Sb3 octahedra that share corners with twelve equivalent PtFe3Sb3 octahedra, corners with three equivalent SbFePt3 tetrahedra, and corners with three equivalent FeSbPt3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 61–67°. All Pt–Sb bond lengths are 2.77 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded to one Fe3+ and three Pt2- atoms to form distorted SbFePt3 tetrahedra that share corners with three PtFe3Sb3 octahedra, corners with six SbFePt3 tetrahedra, and corners with nine FeSbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 82°. In the second Sb1- site, Sb1- is bonded to one Fe3+ and three equivalent Pt2- atoms to form distorted SbFePt3 tetrahedra that share corners with three equivalent PtFe3Sb3 octahedra, corners with six equivalent SbFePt3 tetrahedra, and corners with nine FeSbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-669307
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; FeSbPt; Fe-Pt-Sb
OSTI Identifier:
1281564
DOI:
10.17188/1281564

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on FeSbPt by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281564.
Persson, Kristin, & Project, Materials. Materials Data on FeSbPt by Materials Project. United States. doi:10.17188/1281564.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on FeSbPt by Materials Project". United States. doi:10.17188/1281564. https://www.osti.gov/servlets/purl/1281564. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1281564,
title = {Materials Data on FeSbPt by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {FePtSb crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to three equivalent Pt2- and one Sb1- atom to form distorted FeSbPt3 trigonal pyramids that share corners with three equivalent PtFe3Sb3 octahedra, corners with nine SbFePt3 tetrahedra, and corners with six equivalent FeSbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 75°. All Fe–Pt bond lengths are 2.38 Å. The Fe–Sb bond length is 2.48 Å. In the second Fe3+ site, Fe3+ is bonded to three Pt2- and one Sb1- atom to form distorted FeSbPt3 trigonal pyramids that share corners with three PtFe3Sb3 octahedra, corners with nine SbFePt3 tetrahedra, and corners with six FeSbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 75°. There are one shorter (2.38 Å) and two longer (2.39 Å) Fe–Pt bond lengths. The Fe–Sb bond length is 2.49 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to three Fe3+ and three Sb1- atoms to form distorted PtFe3Sb3 octahedra that share corners with twelve PtFe3Sb3 octahedra, corners with three SbFePt3 tetrahedra, and corners with three FeSbPt3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 61–67°. There are one shorter (2.77 Å) and two longer (2.78 Å) Pt–Sb bond lengths. In the second Pt2- site, Pt2- is bonded to three equivalent Fe3+ and three equivalent Sb1- atoms to form distorted PtFe3Sb3 octahedra that share corners with twelve equivalent PtFe3Sb3 octahedra, corners with three equivalent SbFePt3 tetrahedra, and corners with three equivalent FeSbPt3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 61–67°. All Pt–Sb bond lengths are 2.77 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded to one Fe3+ and three Pt2- atoms to form distorted SbFePt3 tetrahedra that share corners with three PtFe3Sb3 octahedra, corners with six SbFePt3 tetrahedra, and corners with nine FeSbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 82°. In the second Sb1- site, Sb1- is bonded to one Fe3+ and three equivalent Pt2- atoms to form distorted SbFePt3 tetrahedra that share corners with three equivalent PtFe3Sb3 octahedra, corners with six equivalent SbFePt3 tetrahedra, and corners with nine FeSbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°.},
doi = {10.17188/1281564},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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