Materials Data on MgSiN2 by Materials Project

doi:10.17188/1191331

Title: Materials Data on MgSiN2 by Materials Project

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Abstract

MgSiN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent N3- atoms to form MgN4 tetrahedra that share corners with four equivalent MgN4 tetrahedra and corners with eight equivalent SiN4 tetrahedra. All Mg–N bond lengths are 2.11 Å. Si4+ is bonded to four equivalent N3- atoms to form SiN4 tetrahedra that share corners with four equivalent SiN4 tetrahedra and corners with eight equivalent MgN4 tetrahedra. All Si–N bond lengths are 1.76 Å. N3- is bonded to two equivalent Mg2+ and two equivalent Si4+ atoms to form corner-sharing NMg2Si2 tetrahedra.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-15701

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; MgSiN2; Mg-N-Si

OSTI Identifier:: 1191331

DOI:: https://doi.org/10.17188/1191331

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                    The Materials Project. Materials Data on MgSiN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191331.

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                    The Materials Project. Materials Data on MgSiN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191331

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                    The Materials Project. 2020.  
"Materials Data on MgSiN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191331.  https://www.osti.gov/servlets/purl/1191331. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1191331,

  title        = {Materials Data on MgSiN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgSiN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent N3- atoms to form MgN4 tetrahedra that share corners with four equivalent MgN4 tetrahedra and corners with eight equivalent SiN4 tetrahedra. All Mg–N bond lengths are 2.11 Å. Si4+ is bonded to four equivalent N3- atoms to form SiN4 tetrahedra that share corners with four equivalent SiN4 tetrahedra and corners with eight equivalent MgN4 tetrahedra. All Si–N bond lengths are 1.76 Å. N3- is bonded to two equivalent Mg2+ and two equivalent Si4+ atoms to form corner-sharing NMg2Si2 tetrahedra.},

  doi          = {10.17188/1191331},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1191331

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