Materials Data on MoN by Materials Project

doi:10.17188/1192126

Title: Materials Data on MoN by Materials Project

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Abstract

MoN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mo3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–N bond lengths are 2.18 Å. N3- is bonded to six equivalent Mo3+ atoms to form a mixture of edge and corner-sharing NMo6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:: 2020-07-15

Other Number(s):: mp-16730

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Mo-N; MoN; crystal structure

OSTI Identifier:: 1192126

DOI:: https://doi.org/10.17188/1192126

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                    Materials Data on MoN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192126.

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                    Materials Data on MoN by Materials Project.  United States.  doi:https://doi.org/10.17188/1192126

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                    2020.  
"Materials Data on MoN by Materials Project".  United States.  doi:https://doi.org/10.17188/1192126.  https://www.osti.gov/servlets/purl/1192126. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1192126,

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

  
  abstractNote = {MoN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mo3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–N bond lengths are 2.18 Å. N3- is bonded to six equivalent Mo3+ atoms to form a mixture of edge and corner-sharing NMo6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1192126},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192126

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Materials Data on MoN by Materials Project

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MoN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Mo3+ sites. In the first Mo3+ site, Mo3+ is bonded to six N3- atoms to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedra tilt angles range from 42–47°. There are a spread of Mo–N bond distances ranging from 2.17–2.22 Å. In the second Mo3+ site, Mo3+ is bonded to six equivalent N3- atoms to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedra tilt angles range from 42–47°.more »« less

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