Materials Data on Fe3RhN by Materials Project

doi:10.17188/1272672

Title: Materials Data on Fe3RhN by Materials Project

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Abstract

Fe3RhN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Rh and two equivalent N atoms. All Fe–Rh bond lengths are 2.72 Å. Both Fe–N bond lengths are 1.93 Å. Rh is bonded to twelve equivalent Fe atoms to form RhFe12 cuboctahedra that share corners with twelve equivalent RhFe12 cuboctahedra, faces with six equivalent RhFe12 cuboctahedra, and faces with eight equivalent NFe6 octahedra. N is bonded to six equivalent Fe atoms to form NFe6 octahedra that share corners with six equivalent NFe6 octahedra and faces with eight equivalent RhFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:: 2020-05-03

Other Number(s):: mp-580234

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; Fe-N-Rh; Fe3RhN; crystal structure

OSTI Identifier:: 1272672

DOI:: https://doi.org/10.17188/1272672

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                    Materials Data on Fe3RhN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272672.

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                    Materials Data on Fe3RhN by Materials Project.  United States.  doi:https://doi.org/10.17188/1272672

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                    2020.  
"Materials Data on Fe3RhN by Materials Project".  United States.  doi:https://doi.org/10.17188/1272672.  https://www.osti.gov/servlets/purl/1272672. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1272672,

  title        = {Materials Data on Fe3RhN by Materials Project},

  
  abstractNote = {Fe3RhN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Rh and two equivalent N atoms. All Fe–Rh bond lengths are 2.72 Å. Both Fe–N bond lengths are 1.93 Å. Rh is bonded to twelve equivalent Fe atoms to form RhFe12 cuboctahedra that share corners with twelve equivalent RhFe12 cuboctahedra, faces with six equivalent RhFe12 cuboctahedra, and faces with eight equivalent NFe6 octahedra. N is bonded to six equivalent Fe atoms to form NFe6 octahedra that share corners with six equivalent NFe6 octahedra and faces with eight equivalent RhFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1272672},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1272672

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