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Title: Materials Data on ZrCoSb by Materials Project

Abstract

ZrCoSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr2+ is bonded to four equivalent Sb3- atoms to form ZrSb4 tetrahedra that share corners with four equivalent CoSb4 tetrahedra, corners with twelve equivalent ZrSb4 tetrahedra, and edges with six equivalent CoSb4 tetrahedra. All Zr–Sb bond lengths are 2.74 Å. Co1+ is bonded to four equivalent Sb3- atoms to form CoSb4 tetrahedra that share corners with four equivalent ZrSb4 tetrahedra, corners with twelve equivalent CoSb4 tetrahedra, and edges with six equivalent ZrSb4 tetrahedra. All Co–Sb bond lengths are 2.74 Å. Sb3- is bonded in a body-centered cubic geometry to four equivalent Zr2+ and four equivalent Co1+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-22377
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; ZrCoSb; Co-Sb-Zr
OSTI Identifier:
1197596
DOI:
10.17188/1197596

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ZrCoSb by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1197596.
Persson, Kristin, & Project, Materials. Materials Data on ZrCoSb by Materials Project. United States. doi:10.17188/1197596.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on ZrCoSb by Materials Project". United States. doi:10.17188/1197596. https://www.osti.gov/servlets/purl/1197596. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1197596,
title = {Materials Data on ZrCoSb by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ZrCoSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr2+ is bonded to four equivalent Sb3- atoms to form ZrSb4 tetrahedra that share corners with four equivalent CoSb4 tetrahedra, corners with twelve equivalent ZrSb4 tetrahedra, and edges with six equivalent CoSb4 tetrahedra. All Zr–Sb bond lengths are 2.74 Å. Co1+ is bonded to four equivalent Sb3- atoms to form CoSb4 tetrahedra that share corners with four equivalent ZrSb4 tetrahedra, corners with twelve equivalent CoSb4 tetrahedra, and edges with six equivalent ZrSb4 tetrahedra. All Co–Sb bond lengths are 2.74 Å. Sb3- is bonded in a body-centered cubic geometry to four equivalent Zr2+ and four equivalent Co1+ atoms.},
doi = {10.17188/1197596},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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