Materials Data on FeMo3PdN by Materials Project

doi:10.17188/1747168

Title: Materials Data on FeMo3PdN by Materials Project

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Abstract

Mo3FePdN crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Mo is bonded in a distorted bent 150 degrees geometry to three equivalent Fe and two equivalent N atoms. There are a spread of Mo–Fe bond distances ranging from 2.74–2.94 Å. There are one shorter (2.12 Å) and one longer (2.13 Å) Mo–N bond lengths. Fe is bonded to nine equivalent Mo and three equivalent Pd atoms to form distorted FeMo9Pd3 cuboctahedra that share corners with six equivalent FeMo9Pd3 cuboctahedra, edges with three equivalent NMo6 octahedra, faces with six equivalent FeMo9Pd3 cuboctahedra, and faces with four equivalent NMo6 octahedra. All Fe–Pd bond lengths are 2.53 Å. Pd is bonded in a 12-coordinate geometry to three equivalent Fe atoms. N is bonded to six equivalent Mo atoms to form distorted NMo6 octahedra that share corners with six equivalent NMo6 octahedra, edges with three equivalent FeMo9Pd3 cuboctahedra, and faces with four equivalent FeMo9Pd3 cuboctahedra. The corner-sharing octahedral tilt angles are 25°.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1225051

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; FeMo3PdN; Fe-Mo-N-Pd

OSTI Identifier:: 1747168

DOI:: https://doi.org/10.17188/1747168

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                    The Materials Project. Materials Data on FeMo3PdN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1747168.

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                    The Materials Project. Materials Data on FeMo3PdN by Materials Project.  United States.  doi:https://doi.org/10.17188/1747168

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                    The Materials Project. 2020.  
"Materials Data on FeMo3PdN by Materials Project".  United States.  doi:https://doi.org/10.17188/1747168.  https://www.osti.gov/servlets/purl/1747168. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1747168,

  title        = {Materials Data on FeMo3PdN by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mo3FePdN crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Mo is bonded in a distorted bent 150 degrees geometry to three equivalent Fe and two equivalent N atoms. There are a spread of Mo–Fe bond distances ranging from 2.74–2.94 Å. There are one shorter (2.12 Å) and one longer (2.13 Å) Mo–N bond lengths. Fe is bonded to nine equivalent Mo and three equivalent Pd atoms to form distorted FeMo9Pd3 cuboctahedra that share corners with six equivalent FeMo9Pd3 cuboctahedra, edges with three equivalent NMo6 octahedra, faces with six equivalent FeMo9Pd3 cuboctahedra, and faces with four equivalent NMo6 octahedra. All Fe–Pd bond lengths are 2.53 Å. Pd is bonded in a 12-coordinate geometry to three equivalent Fe atoms. N is bonded to six equivalent Mo atoms to form distorted NMo6 octahedra that share corners with six equivalent NMo6 octahedra, edges with three equivalent FeMo9Pd3 cuboctahedra, and faces with four equivalent FeMo9Pd3 cuboctahedra. The corner-sharing octahedral tilt angles are 25°.},

  doi          = {10.17188/1747168},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1747168

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