Materials Data on Mg(CoS2)2 by Materials Project

doi:10.17188/1322730

Title: Materials Data on Mg(CoS2)2 by Materials Project

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Abstract

Mg(CoS2)2 is Spinel structured and crystallizes in the cubic Fd-3m 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 CoS6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Mg–S bond lengths are 2.44 Å. Co3+ is bonded to six equivalent S2- atoms to form CoS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent CoS6 octahedra. All Co–S bond lengths are 2.28 Å. S2- is bonded to one Mg2+ and three equivalent Co3+ atoms to form a mixture of distorted corner and edge-sharing SMgCo3 tetrahedra.

Publication Date:: Sun May 03 04:00:00 UTC 2020

Other Number(s):: mvc-78

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; Co-Mg-S; Mg(CoS2)2; crystal structure

OSTI Identifier:: 1322730

DOI:: https://doi.org/10.17188/1322730

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                    Materials Data on Mg(CoS2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1322730.

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                    Materials Data on Mg(CoS2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1322730

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                    2020.  
"Materials Data on Mg(CoS2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1322730.  https://www.osti.gov/servlets/purl/1322730. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1322730,

  title        = {Materials Data on Mg(CoS2)2 by Materials Project},

  
  abstractNote = {Mg(CoS2)2 is Spinel structured and crystallizes in the cubic Fd-3m 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 CoS6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Mg–S bond lengths are 2.44 Å. Co3+ is bonded to six equivalent S2- atoms to form CoS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent CoS6 octahedra. All Co–S bond lengths are 2.28 Å. S2- is bonded to one Mg2+ and three equivalent Co3+ atoms to form a mixture of distorted corner and edge-sharing SMgCo3 tetrahedra.},

  doi          = {10.17188/1322730},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 04:00:00 UTC 2020},

  month        = {Sun May 03 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1322730

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