Materials Data on Mg2MnN3 by Materials Project

doi:10.17188/1719815

Title: Materials Data on Mg2MnN3 by Materials Project

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Abstract

Mg2MnN3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mg2+ is bonded to four N+2.33- atoms to form distorted MgN4 tetrahedra that share corners with five equivalent MnN4 tetrahedra and corners with seven equivalent MgN4 tetrahedra. There are a spread of Mg–N bond distances ranging from 2.09–2.15 Å. Mn3+ is bonded to four N+2.33- atoms to form MnN4 tetrahedra that share corners with two equivalent MnN4 tetrahedra and corners with ten equivalent MgN4 tetrahedra. There are a spread of Mn–N bond distances ranging from 1.76–1.84 Å. There are two inequivalent N+2.33- sites. In the first N+2.33- site, N+2.33- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one Mn3+ atom. In the second N+2.33- site, N+2.33- is bonded to two equivalent Mg2+ and two equivalent Mn3+ atoms to form corner-sharing NMg2Mn2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1029288

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; Mg2MnN3; Mg-Mn-N

OSTI Identifier:: 1719815

DOI:: https://doi.org/10.17188/1719815

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                    The Materials Project. Materials Data on Mg2MnN3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1719815.

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                    The Materials Project. Materials Data on Mg2MnN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1719815

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                    The Materials Project. 2020.  
"Materials Data on Mg2MnN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1719815.  https://www.osti.gov/servlets/purl/1719815. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1719815,

  title        = {Materials Data on Mg2MnN3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2MnN3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mg2+ is bonded to four N+2.33- atoms to form distorted MgN4 tetrahedra that share corners with five equivalent MnN4 tetrahedra and corners with seven equivalent MgN4 tetrahedra. There are a spread of Mg–N bond distances ranging from 2.09–2.15 Å. Mn3+ is bonded to four N+2.33- atoms to form MnN4 tetrahedra that share corners with two equivalent MnN4 tetrahedra and corners with ten equivalent MgN4 tetrahedra. There are a spread of Mn–N bond distances ranging from 1.76–1.84 Å. There are two inequivalent N+2.33- sites. In the first N+2.33- site, N+2.33- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one Mn3+ atom. In the second N+2.33- site, N+2.33- is bonded to two equivalent Mg2+ and two equivalent Mn3+ atoms to form corner-sharing NMg2Mn2 tetrahedra.},

  doi          = {10.17188/1719815},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1719815

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