Materials Data on Mg3MnTe4 by Materials Project

doi:10.17188/1740793

Title: Materials Data on Mg3MnTe4 by Materials Project

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Abstract

Mg3MnTe4 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four Te2- atoms to form MgTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra and corners with eight MgTe4 tetrahedra. There are two shorter (2.81 Å) and two longer (2.83 Å) Mg–Te bond lengths. In the second Mg2+ site, Mg2+ is bonded to four equivalent Te2- atoms to form corner-sharing MgTe4 tetrahedra. All Mg–Te bond lengths are 2.80 Å. Mn2+ is bonded to four equivalent Te2- atoms to form MnTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra and corners with eight equivalent MgTe4 tetrahedra. All Mn–Te bond lengths are 2.77 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four Mg2+ atoms to form corner-sharing TeMg4 tetrahedra. In the second Te2- site, Te2- is bonded to two equivalent Mg2+ and two equivalent Mn2+ atoms to form corner-sharing TeMg2Mn2 tetrahedra.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1222145

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; Mg3MnTe4; Mg-Mn-Te

OSTI Identifier:: 1740793

DOI:: https://doi.org/10.17188/1740793

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                    The Materials Project. Materials Data on Mg3MnTe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740793.

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                    The Materials Project. Materials Data on Mg3MnTe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740793

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                    The Materials Project. 2020.  
"Materials Data on Mg3MnTe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740793.  https://www.osti.gov/servlets/purl/1740793. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1740793,

  title        = {Materials Data on Mg3MnTe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg3MnTe4 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four Te2- atoms to form MgTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra and corners with eight MgTe4 tetrahedra. There are two shorter (2.81 Å) and two longer (2.83 Å) Mg–Te bond lengths. In the second Mg2+ site, Mg2+ is bonded to four equivalent Te2- atoms to form corner-sharing MgTe4 tetrahedra. All Mg–Te bond lengths are 2.80 Å. Mn2+ is bonded to four equivalent Te2- atoms to form MnTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra and corners with eight equivalent MgTe4 tetrahedra. All Mn–Te bond lengths are 2.77 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four Mg2+ atoms to form corner-sharing TeMg4 tetrahedra. In the second Te2- site, Te2- is bonded to two equivalent Mg2+ and two equivalent Mn2+ atoms to form corner-sharing TeMg2Mn2 tetrahedra.},

  doi          = {10.17188/1740793},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1740793

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