Materials Data on Zn(NiS2)2 by Materials Project

doi:10.17188/1339680

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

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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.

Publication Date:: Wed Jul 22 04:00:00 UTC 2020

Other Number(s):: mvc-11132

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ni-S-Zn; Zn(NiS2)2; crystal structure

OSTI Identifier:: 1339680

DOI:: https://doi.org/10.17188/1339680

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                    Materials Data on Zn(NiS2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1339680.

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                    Materials Data on Zn(NiS2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1339680

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                    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 04:00:00 UTC 2020

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@article{osti_1339680,

  title        = {Materials Data on Zn(NiS2)2 by 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         = {Wed Jul 22 04:00:00 UTC 2020},

  month        = {Wed Jul 22 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1339680

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