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Title: Materials Data on Zn(NiS2)2 by Materials Project

Abstract

Zn(NiS2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ni3+ is bonded to six equivalent S2- atoms to form NiS6 octahedra that share corners with six equivalent ZnS4 tetrahedra and edges with six equivalent NiS6 octahedra. There are four shorter (2.30 Å) and two longer (2.31 Å) Ni–S bond lengths. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with twelve equivalent NiS6 octahedra. The corner-sharing octahedra tilt angles range from 58–60°. All Zn–S bond lengths are 2.34 Å. S2- is bonded to three equivalent Ni3+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing SZnNi3 trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mvc-11132
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Zn(NiS2)2; Ni-S-Zn
OSTI Identifier:
1339680
DOI:
https://doi.org/10.17188/1339680

Citation Formats

The Materials Project. Materials Data on Zn(NiS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1339680.
The Materials Project. Materials Data on Zn(NiS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1339680
The Materials Project. 2020. "Materials Data on Zn(NiS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1339680. https://www.osti.gov/servlets/purl/1339680. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1339680,
title = {Materials Data on Zn(NiS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn(NiS2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ni3+ is bonded to six equivalent S2- atoms to form NiS6 octahedra that share corners with six equivalent ZnS4 tetrahedra and edges with six equivalent NiS6 octahedra. There are four shorter (2.30 Å) and two longer (2.31 Å) Ni–S bond lengths. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with twelve equivalent NiS6 octahedra. The corner-sharing octahedra tilt angles range from 58–60°. All Zn–S bond lengths are 2.34 Å. S2- is bonded to three equivalent Ni3+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing SZnNi3 trigonal pyramids.},
doi = {10.17188/1339680},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}