Materials Data on Mg(MnS2)2 by Materials Project

doi:10.17188/1318700

Title: Materials Data on Mg(MnS2)2 by Materials Project

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Abstract

Mg(MnS2)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 MnS6 octahedra. The corner-sharing octahedra tilt angles range from 58–60°. All Mg–S bond lengths are 2.45 Å. Mn3+ is bonded to six equivalent S2- atoms to form MnS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent MnS6 octahedra. There are two shorter (2.44 Å) and four longer (2.47 Å) Mn–S bond lengths. S2- is bonded to one Mg2+ and three equivalent Mn3+ atoms to form a mixture of distorted edge and corner-sharing SMgMn3 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: Mon Aug 03 00:00:00 EDT 2020

Other Number(s):: mvc-12966

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(MnS2)2; Mg-Mn-S

OSTI Identifier:: 1318700

DOI:: https://doi.org/10.17188/1318700

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                    The Materials Project. Materials Data on Mg(MnS2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1318700.

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                    The Materials Project. Materials Data on Mg(MnS2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1318700

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                    The Materials Project. 2020.  
"Materials Data on Mg(MnS2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1318700.  https://www.osti.gov/servlets/purl/1318700. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1318700,

  title        = {Materials Data on Mg(MnS2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg(MnS2)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 MnS6 octahedra. The corner-sharing octahedra tilt angles range from 58–60°. All Mg–S bond lengths are 2.45 Å. Mn3+ is bonded to six equivalent S2- atoms to form MnS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent MnS6 octahedra. There are two shorter (2.44 Å) and four longer (2.47 Å) Mn–S bond lengths. S2- is bonded to one Mg2+ and three equivalent Mn3+ atoms to form a mixture of distorted edge and corner-sharing SMgMn3 trigonal pyramids.},

  doi          = {10.17188/1318700},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Aug 03 00:00:00 EDT 2020},

  month        = {Mon Aug 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1318700

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