Materials Data on Mn4N by Materials Project

doi:10.17188/1262652

Title: Materials Data on Mn4N by Materials Project

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Abstract

Mn4N crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to twelve equivalent Mn atoms to form MnMn12 cuboctahedra that share corners with twelve equivalent MnMn12 cuboctahedra, faces with six equivalent MnMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. All Mn–Mn bond lengths are 2.66 Å. In the second Mn site, Mn is bonded in a linear geometry to four equivalent Mn and two equivalent N atoms. Both Mn–N bond lengths are 1.88 Å. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent MnMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

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

Other Number(s):: mp-505622

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; Mn4N; Mn-N

OSTI Identifier:: 1262652

DOI:: https://doi.org/10.17188/1262652

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                    The Materials Project. Materials Data on Mn4N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262652.

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                    The Materials Project. Materials Data on Mn4N by Materials Project.  United States.  doi:https://doi.org/10.17188/1262652

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                    The Materials Project. 2020.  
"Materials Data on Mn4N by Materials Project".  United States.  doi:https://doi.org/10.17188/1262652.  https://www.osti.gov/servlets/purl/1262652. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1262652,

  title        = {Materials Data on Mn4N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn4N crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to twelve equivalent Mn atoms to form MnMn12 cuboctahedra that share corners with twelve equivalent MnMn12 cuboctahedra, faces with six equivalent MnMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. All Mn–Mn bond lengths are 2.66 Å. In the second Mn site, Mn is bonded in a linear geometry to four equivalent Mn and two equivalent N atoms. Both Mn–N bond lengths are 1.88 Å. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent MnMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1262652},

  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/10.17188/1262652

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