Materials Data on Fe3PdN by Materials Project

doi:10.17188/1191821

Title: Materials Data on Fe3PdN by Materials Project

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Abstract

PdFe3N 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 Pd and two equivalent N atoms. All Fe–Pd bond lengths are 2.73 Å. Both Fe–N bond lengths are 1.93 Å. Pd is bonded to twelve equivalent Fe atoms to form PdFe12 cuboctahedra that share corners with twelve equivalent PdFe12 cuboctahedra, faces with six equivalent PdFe12 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 PdFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-16334

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; Fe3PdN; Fe-N-Pd

OSTI Identifier:: 1191821

DOI:: https://doi.org/10.17188/1191821

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                    The Materials Project. Materials Data on Fe3PdN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191821.

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                    The Materials Project. Materials Data on Fe3PdN by Materials Project.  United States.  doi:https://doi.org/10.17188/1191821

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                    The Materials Project. 2020.  
"Materials Data on Fe3PdN by Materials Project".  United States.  doi:https://doi.org/10.17188/1191821.  https://www.osti.gov/servlets/purl/1191821. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1191821,

  title        = {Materials Data on Fe3PdN by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PdFe3N 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 Pd and two equivalent N atoms. All Fe–Pd bond lengths are 2.73 Å. Both Fe–N bond lengths are 1.93 Å. Pd is bonded to twelve equivalent Fe atoms to form PdFe12 cuboctahedra that share corners with twelve equivalent PdFe12 cuboctahedra, faces with six equivalent PdFe12 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 PdFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1191821},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1191821

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