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Title: Materials Data on ZnNiSb by Materials Project

Abstract

NiZnSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ni1+ is bonded to four equivalent Sb3- atoms to form NiSb4 tetrahedra that share corners with twelve equivalent ZnSb6 octahedra, corners with twelve equivalent NiSb4 tetrahedra, and faces with four equivalent ZnSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ni–Sb bond lengths are 2.57 Å. Zn2+ is bonded to six equivalent Sb3- atoms to form ZnSb6 octahedra that share corners with six equivalent ZnSb6 octahedra, corners with twelve equivalent NiSb4 tetrahedra, edges with twelve equivalent ZnSb6 octahedra, and faces with four equivalent NiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Zn–Sb bond lengths are 2.97 Å. Sb3- is bonded in a 10-coordinate geometry to four equivalent Ni1+ and six equivalent Zn2+ atoms.

Publication Date:
Other Number(s):
mp-11621
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; ZnNiSb; Ni-Sb-Zn
OSTI Identifier:
1188110
DOI:
https://doi.org/10.17188/1188110

Citation Formats

The Materials Project. Materials Data on ZnNiSb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188110.
The Materials Project. Materials Data on ZnNiSb by Materials Project. United States. doi:https://doi.org/10.17188/1188110
The Materials Project. 2020. "Materials Data on ZnNiSb by Materials Project". United States. doi:https://doi.org/10.17188/1188110. https://www.osti.gov/servlets/purl/1188110. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1188110,
title = {Materials Data on ZnNiSb by Materials Project},
author = {The Materials Project},
abstractNote = {NiZnSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ni1+ is bonded to four equivalent Sb3- atoms to form NiSb4 tetrahedra that share corners with twelve equivalent ZnSb6 octahedra, corners with twelve equivalent NiSb4 tetrahedra, and faces with four equivalent ZnSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ni–Sb bond lengths are 2.57 Å. Zn2+ is bonded to six equivalent Sb3- atoms to form ZnSb6 octahedra that share corners with six equivalent ZnSb6 octahedra, corners with twelve equivalent NiSb4 tetrahedra, edges with twelve equivalent ZnSb6 octahedra, and faces with four equivalent NiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Zn–Sb bond lengths are 2.97 Å. Sb3- is bonded in a 10-coordinate geometry to four equivalent Ni1+ and six equivalent Zn2+ atoms.},
doi = {10.17188/1188110},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}