Materials Data on Mg(VS2)2 by Materials Project

doi:10.17188/1319032

Title: Materials Data on Mg(VS2)2 by Materials Project

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Abstract

Mg(VS2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent S2- atoms to form MgS4 tetrahedra that share corners with twelve equivalent VS6 octahedra. The corner-sharing octahedra tilt angles range from 53–62°. All Mg–S bond lengths are 2.43 Å. V3+ is bonded to six equivalent S2- atoms to form VS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent VS6 octahedra. There are four shorter (2.45 Å) and two longer (2.46 Å) V–S bond lengths. S2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three equivalent V3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mvc-14048

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; Mg(VS2)2; Mg-S-V

OSTI Identifier:: 1319032

DOI:: https://doi.org/10.17188/1319032

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                    The Materials Project. Materials Data on Mg(VS2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1319032.

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                    The Materials Project. Materials Data on Mg(VS2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1319032

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                    The Materials Project. 2020.  
"Materials Data on Mg(VS2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1319032.  https://www.osti.gov/servlets/purl/1319032. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1319032,

  title        = {Materials Data on Mg(VS2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg(VS2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent S2- atoms to form MgS4 tetrahedra that share corners with twelve equivalent VS6 octahedra. The corner-sharing octahedra tilt angles range from 53–62°. All Mg–S bond lengths are 2.43 Å. V3+ is bonded to six equivalent S2- atoms to form VS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent VS6 octahedra. There are four shorter (2.45 Å) and two longer (2.46 Å) V–S bond lengths. S2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three equivalent V3+ atoms.},

  doi          = {10.17188/1319032},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1319032

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