Materials Data on Cu3RhN by Materials Project

doi:10.17188/1752794

Title: Materials Data on Cu3RhN by Materials Project

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Abstract

RhCu3N is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rh is bonded to twelve equivalent Cu atoms to form RhCu12 cuboctahedra that share corners with twelve equivalent RhCu12 cuboctahedra, faces with six equivalent RhCu12 cuboctahedra, and faces with eight equivalent NCu6 octahedra. All Rh–Cu bond lengths are 2.72 Å. Cu is bonded in a linear geometry to four equivalent Rh and two equivalent N atoms. Both Cu–N bond lengths are 1.92 Å. N is bonded to six equivalent Cu atoms to form NCu6 octahedra that share corners with six equivalent NCu6 octahedra and faces with eight equivalent RhCu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1207194

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; Cu3RhN; Cu-N-Rh

OSTI Identifier:: 1752794

DOI:: https://doi.org/10.17188/1752794

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                    The Materials Project. Materials Data on Cu3RhN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752794.

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                    The Materials Project. Materials Data on Cu3RhN by Materials Project.  United States.  doi:https://doi.org/10.17188/1752794

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                    The Materials Project. 2020.  
"Materials Data on Cu3RhN by Materials Project".  United States.  doi:https://doi.org/10.17188/1752794.  https://www.osti.gov/servlets/purl/1752794. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1752794,

  title        = {Materials Data on Cu3RhN by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RhCu3N is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rh is bonded to twelve equivalent Cu atoms to form RhCu12 cuboctahedra that share corners with twelve equivalent RhCu12 cuboctahedra, faces with six equivalent RhCu12 cuboctahedra, and faces with eight equivalent NCu6 octahedra. All Rh–Cu bond lengths are 2.72 Å. Cu is bonded in a linear geometry to four equivalent Rh and two equivalent N atoms. Both Cu–N bond lengths are 1.92 Å. N is bonded to six equivalent Cu atoms to form NCu6 octahedra that share corners with six equivalent NCu6 octahedra and faces with eight equivalent RhCu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1752794},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1752794

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