Materials Data on Mg2SbN3 by Materials Project

doi:10.17188/1744229

Title: Materials Data on Mg2SbN3 by Materials Project

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Abstract

Mg2SbN3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mg2+ is bonded to four N3- atoms to form MgN4 tetrahedra that share corners with five equivalent SbN4 tetrahedra and corners with seven equivalent MgN4 tetrahedra. There are a spread of Mg–N bond distances ranging from 2.09–2.18 Å. Sb5+ is bonded to four N3- atoms to form SbN4 tetrahedra that share corners with two equivalent SbN4 tetrahedra and corners with ten equivalent MgN4 tetrahedra. There are two shorter (1.98 Å) and two longer (2.07 Å) Sb–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent Mg2+ and one Sb5+ atom to form corner-sharing NMg3Sb tetrahedra. In the second N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent Sb5+ atoms to form corner-sharing NMg2Sb2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1029378

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; Mg2SbN3; Mg-N-Sb

OSTI Identifier:: 1744229

DOI:: https://doi.org/10.17188/1744229

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                    The Materials Project. Materials Data on Mg2SbN3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744229.

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                    The Materials Project. Materials Data on Mg2SbN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744229

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                    The Materials Project. 2020.  
"Materials Data on Mg2SbN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744229.  https://www.osti.gov/servlets/purl/1744229. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1744229,

  title        = {Materials Data on Mg2SbN3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2SbN3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mg2+ is bonded to four N3- atoms to form MgN4 tetrahedra that share corners with five equivalent SbN4 tetrahedra and corners with seven equivalent MgN4 tetrahedra. There are a spread of Mg–N bond distances ranging from 2.09–2.18 Å. Sb5+ is bonded to four N3- atoms to form SbN4 tetrahedra that share corners with two equivalent SbN4 tetrahedra and corners with ten equivalent MgN4 tetrahedra. There are two shorter (1.98 Å) and two longer (2.07 Å) Sb–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent Mg2+ and one Sb5+ atom to form corner-sharing NMg3Sb tetrahedra. In the second N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent Sb5+ atoms to form corner-sharing NMg2Sb2 tetrahedra.},

  doi          = {10.17188/1744229},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1744229

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