Materials Data on MgSnN2 by Materials Project

doi:10.17188/1721323

Title: Materials Data on MgSnN2 by Materials Project

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Abstract

MgSnN2 is Chalcopyrite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Mg2+ is bonded to four N3- atoms to form MgN4 tetrahedra that share corners with four equivalent MgN4 tetrahedra and corners with eight equivalent SnN4 tetrahedra. There are two shorter (2.11 Å) and two longer (2.12 Å) Mg–N bond lengths. Sn4+ is bonded to four N3- atoms to form SnN4 tetrahedra that share corners with four equivalent SnN4 tetrahedra and corners with eight equivalent MgN4 tetrahedra. There are two shorter (2.09 Å) and two longer (2.10 Å) Sn–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent Sn4+ atoms to form corner-sharing NMg2Sn2 tetrahedra. In the second N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent Sn4+ atoms to form corner-sharing NMg2Sn2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1029791

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; MgSnN2; Mg-N-Sn

OSTI Identifier:: 1721323

DOI:: https://doi.org/10.17188/1721323

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                    The Materials Project. Materials Data on MgSnN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1721323.

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                    The Materials Project. Materials Data on MgSnN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1721323

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                    The Materials Project. 2020.  
"Materials Data on MgSnN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1721323.  https://www.osti.gov/servlets/purl/1721323. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1721323,

  title        = {Materials Data on MgSnN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgSnN2 is Chalcopyrite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Mg2+ is bonded to four N3- atoms to form MgN4 tetrahedra that share corners with four equivalent MgN4 tetrahedra and corners with eight equivalent SnN4 tetrahedra. There are two shorter (2.11 Å) and two longer (2.12 Å) Mg–N bond lengths. Sn4+ is bonded to four N3- atoms to form SnN4 tetrahedra that share corners with four equivalent SnN4 tetrahedra and corners with eight equivalent MgN4 tetrahedra. There are two shorter (2.09 Å) and two longer (2.10 Å) Sn–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent Sn4+ atoms to form corner-sharing NMg2Sn2 tetrahedra. In the second N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent Sn4+ atoms to form corner-sharing NMg2Sn2 tetrahedra.},

  doi          = {10.17188/1721323},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1721323

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