Materials Data on Fe2N by Materials Project

doi:10.17188/1200233

Title: Materials Data on Fe2N by Materials Project

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Abstract

Fe2N is beta Vanadium nitride structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Fe is bonded in a distorted T-shaped geometry to three N atoms. There is one shorter (1.91 Å) and two longer (1.92 Å) Fe–N bond length. There are two inequivalent N sites. In the first N site, N is bonded to six equivalent Fe atoms to form corner-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second N site, N is bonded to six equivalent Fe atoms to form a mixture of edge and corner-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles are 48°.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-248

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; Fe2N; Fe-N

OSTI Identifier:: 1200233

DOI:: https://doi.org/10.17188/1200233

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                    The Materials Project. Materials Data on Fe2N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200233.

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                    The Materials Project. Materials Data on Fe2N by Materials Project.  United States.  doi:https://doi.org/10.17188/1200233

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                    The Materials Project. 2020.  
"Materials Data on Fe2N by Materials Project".  United States.  doi:https://doi.org/10.17188/1200233.  https://www.osti.gov/servlets/purl/1200233. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1200233,

  title        = {Materials Data on Fe2N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe2N is beta Vanadium nitride structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Fe is bonded in a distorted T-shaped geometry to three N atoms. There is one shorter (1.91 Å) and two longer (1.92 Å) Fe–N bond length. There are two inequivalent N sites. In the first N site, N is bonded to six equivalent Fe atoms to form corner-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second N site, N is bonded to six equivalent Fe atoms to form a mixture of edge and corner-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles are 48°.},

  doi          = {10.17188/1200233},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1200233

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