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Title: Materials Data on ZrBTe by Materials Project

Abstract

ZrBTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr4+ is bonded in a body-centered cubic geometry to four equivalent B3- and four equivalent Te1- atoms. All Zr–B bond lengths are 2.81 Å. All Zr–Te bond lengths are 2.81 Å. B3- is bonded to four equivalent Zr4+ atoms to form BZr4 tetrahedra that share corners with four equivalent TeZr4 tetrahedra, corners with twelve equivalent BZr4 tetrahedra, and edges with six equivalent TeZr4 tetrahedra. Te1- is bonded to four equivalent Zr4+ atoms to form TeZr4 tetrahedra that share corners with four equivalent BZr4 tetrahedra, corners with twelve equivalent TeZr4 tetrahedra, and edges with six equivalent BZr4 tetrahedra.

Publication Date:
Other Number(s):
mp-631518
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; ZrBTe; B-Te-Zr
OSTI Identifier:
1279207
DOI:
10.17188/1279207

Citation Formats

The Materials Project. Materials Data on ZrBTe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279207.
The Materials Project. Materials Data on ZrBTe by Materials Project. United States. doi:10.17188/1279207.
The Materials Project. 2020. "Materials Data on ZrBTe by Materials Project". United States. doi:10.17188/1279207. https://www.osti.gov/servlets/purl/1279207. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1279207,
title = {Materials Data on ZrBTe by Materials Project},
author = {The Materials Project},
abstractNote = {ZrBTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr4+ is bonded in a body-centered cubic geometry to four equivalent B3- and four equivalent Te1- atoms. All Zr–B bond lengths are 2.81 Å. All Zr–Te bond lengths are 2.81 Å. B3- is bonded to four equivalent Zr4+ atoms to form BZr4 tetrahedra that share corners with four equivalent TeZr4 tetrahedra, corners with twelve equivalent BZr4 tetrahedra, and edges with six equivalent TeZr4 tetrahedra. Te1- is bonded to four equivalent Zr4+ atoms to form TeZr4 tetrahedra that share corners with four equivalent BZr4 tetrahedra, corners with twelve equivalent TeZr4 tetrahedra, and edges with six equivalent BZr4 tetrahedra.},
doi = {10.17188/1279207},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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