Materials Data on MnMoN2 by Materials Project

doi:10.17188/1313171

Title: Materials Data on MnMoN2 by Materials Project

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Abstract

MoMnN2 is Caswellsilverite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo4+ is bonded to six equivalent N3- atoms to form distorted MoN6 pentagonal pyramids that share corners with twelve equivalent MnN6 octahedra, edges with six equivalent MoN6 pentagonal pyramids, and faces with two equivalent MnN6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Mo–N bond lengths are 2.15 Å. Mn2+ is bonded to six equivalent N3- atoms to form MnN6 octahedra that share corners with twelve equivalent MoN6 pentagonal pyramids, edges with six equivalent MnN6 octahedra, and faces with two equivalent MoN6 pentagonal pyramids. All Mn–N bond lengths are 2.10 Å. N3- is bonded in a 6-coordinate geometry to three equivalent Mo4+ and three equivalent Mn2+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-9374

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; MnMoN2; Mn-Mo-N

OSTI Identifier:: 1313171

DOI:: https://doi.org/10.17188/1313171

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                    The Materials Project. Materials Data on MnMoN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313171.

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                    The Materials Project. Materials Data on MnMoN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313171

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                    The Materials Project. 2020.  
"Materials Data on MnMoN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313171.  https://www.osti.gov/servlets/purl/1313171. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1313171,

  title        = {Materials Data on MnMoN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MoMnN2 is Caswellsilverite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo4+ is bonded to six equivalent N3- atoms to form distorted MoN6 pentagonal pyramids that share corners with twelve equivalent MnN6 octahedra, edges with six equivalent MoN6 pentagonal pyramids, and faces with two equivalent MnN6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Mo–N bond lengths are 2.15 Å. Mn2+ is bonded to six equivalent N3- atoms to form MnN6 octahedra that share corners with twelve equivalent MoN6 pentagonal pyramids, edges with six equivalent MnN6 octahedra, and faces with two equivalent MoN6 pentagonal pyramids. All Mn–N bond lengths are 2.10 Å. N3- is bonded in a 6-coordinate geometry to three equivalent Mo4+ and three equivalent Mn2+ atoms.},

  doi          = {10.17188/1313171},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1313171

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