Materials Data on FeCN2 by Materials Project

doi:10.17188/1274137

Title: Materials Data on FeCN2 by Materials Project

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Abstract

FeNCN crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent N3- atoms to form edge-sharing FeN6 octahedra. All Fe–N bond lengths are 2.18 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Fe2+ and one C4+ atom.

Publication Date:: 2020-07-16

Other Number(s):: mp-567933

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; C-Fe-N; FeCN2; crystal structure

OSTI Identifier:: 1274137

DOI:: https://doi.org/10.17188/1274137

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                    Materials Data on FeCN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274137.

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                    Materials Data on FeCN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274137

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                    2020.  
"Materials Data on FeCN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274137.  https://www.osti.gov/servlets/purl/1274137. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1274137,

  title        = {Materials Data on FeCN2 by Materials Project},

  
  abstractNote = {FeNCN crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent N3- atoms to form edge-sharing FeN6 octahedra. All Fe–N bond lengths are 2.18 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Fe2+ and one C4+ atom.},

  doi          = {10.17188/1274137},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274137

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