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Title: Materials Data on NiBTe by Materials Project

Abstract

NiBTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ni4+ is bonded in a body-centered cubic geometry to four equivalent B3- and four equivalent Te1- atoms. All Ni–B bond lengths are 2.47 Å. All Ni–Te bond lengths are 2.47 Å. B3- is bonded to four equivalent Ni4+ atoms to form distorted BNi4 tetrahedra that share corners with four equivalent TeNi4 tetrahedra, corners with twelve equivalent BNi4 tetrahedra, and edges with six equivalent TeNi4 tetrahedra. Te1- is bonded to four equivalent Ni4+ atoms to form distorted TeNi4 tetrahedra that share corners with four equivalent BNi4 tetrahedra, corners with twelve equivalent TeNi4 tetrahedra, and edges with six equivalent BNi4 tetrahedra.

Publication Date:
Other Number(s):
mp-631540
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; NiBTe; B-Ni-Te
OSTI Identifier:
1279229
DOI:
10.17188/1279229

Citation Formats

The Materials Project. Materials Data on NiBTe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279229.
The Materials Project. Materials Data on NiBTe by Materials Project. United States. doi:10.17188/1279229.
The Materials Project. 2020. "Materials Data on NiBTe by Materials Project". United States. doi:10.17188/1279229. https://www.osti.gov/servlets/purl/1279229. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1279229,
title = {Materials Data on NiBTe by Materials Project},
author = {The Materials Project},
abstractNote = {NiBTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ni4+ is bonded in a body-centered cubic geometry to four equivalent B3- and four equivalent Te1- atoms. All Ni–B bond lengths are 2.47 Å. All Ni–Te bond lengths are 2.47 Å. B3- is bonded to four equivalent Ni4+ atoms to form distorted BNi4 tetrahedra that share corners with four equivalent TeNi4 tetrahedra, corners with twelve equivalent BNi4 tetrahedra, and edges with six equivalent TeNi4 tetrahedra. Te1- is bonded to four equivalent Ni4+ atoms to form distorted TeNi4 tetrahedra that share corners with four equivalent BNi4 tetrahedra, corners with twelve equivalent TeNi4 tetrahedra, and edges with six equivalent BNi4 tetrahedra.},
doi = {10.17188/1279229},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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