Materials Data on V2ZnS4 by Materials Project

doi:10.17188/1319139

Title: Materials Data on V2ZnS4 by Materials Project

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Abstract

V2ZnS4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. V3+ is bonded to six equivalent S2- atoms to form VS6 octahedra that share corners with six equivalent ZnS4 tetrahedra and edges with six equivalent VS6 octahedra. There are four shorter (2.43 Å) and two longer (2.44 Å) V–S bond lengths. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with twelve equivalent VS6 octahedra. The corner-sharing octahedra tilt angles range from 55–59°. All Zn–S bond lengths are 2.33 Å. S2- is bonded in a rectangular see-saw-like geometry to three equivalent V3+ and one Zn2+ atom.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mvc-14446

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; V2ZnS4; S-V-Zn

OSTI Identifier:: 1319139

DOI:: https://doi.org/10.17188/1319139

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                    The Materials Project. Materials Data on V2ZnS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1319139.

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                    The Materials Project. Materials Data on V2ZnS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1319139

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                    The Materials Project. 2020.  
"Materials Data on V2ZnS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1319139.  https://www.osti.gov/servlets/purl/1319139. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1319139,

  title        = {Materials Data on V2ZnS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V2ZnS4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. V3+ is bonded to six equivalent S2- atoms to form VS6 octahedra that share corners with six equivalent ZnS4 tetrahedra and edges with six equivalent VS6 octahedra. There are four shorter (2.43 Å) and two longer (2.44 Å) V–S bond lengths. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with twelve equivalent VS6 octahedra. The corner-sharing octahedra tilt angles range from 55–59°. All Zn–S bond lengths are 2.33 Å. S2- is bonded in a rectangular see-saw-like geometry to three equivalent V3+ and one Zn2+ atom.},

  doi          = {10.17188/1319139},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1319139

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