Materials Data on FeN by Materials Project

doi:10.17188/1188593

Title: Materials Data on FeN by Materials Project

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Abstract

FeN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent N3- atoms to form a mixture of edge, corner, and face-sharing FeN6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Fe–N bond lengths are 2.02 Å. N3- is bonded to six equivalent Fe3+ atoms to form a mixture of distorted edge and corner-sharing NFe6 pentagonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-12120

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; FeN; Fe-N

OSTI Identifier:: 1188593

DOI:: https://doi.org/10.17188/1188593

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                    The Materials Project. Materials Data on FeN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188593.

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                    The Materials Project. Materials Data on FeN by Materials Project.  United States.  doi:https://doi.org/10.17188/1188593

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                    The Materials Project. 2020.  
"Materials Data on FeN by Materials Project".  United States.  doi:https://doi.org/10.17188/1188593.  https://www.osti.gov/servlets/purl/1188593. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1188593,

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

  author       = {The Materials Project},

  abstractNote = {FeN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent N3- atoms to form a mixture of edge, corner, and face-sharing FeN6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Fe–N bond lengths are 2.02 Å. N3- is bonded to six equivalent Fe3+ atoms to form a mixture of distorted edge and corner-sharing NFe6 pentagonal pyramids.},

  doi          = {10.17188/1188593},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1188593

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Materials Data on FeN by Materials Project

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FeN is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent N3- atoms to form corner-sharing FeN4 tetrahedra. All Fe–N bond lengths are 1.83 Å. N3- is bonded to four equivalent Fe3+ atoms to form corner-sharing NFe4 tetrahedra.
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FeN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing FeN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–N bond lengths are 2.04 Å. N3- is bonded to six equivalent Fe3+ atoms to form a mixture of edge and corner-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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