Materials Data on Cr3IrN by Materials Project

doi:10.17188/1262655

Title: Materials Data on Cr3IrN by Materials Project

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Abstract

Cr3IrN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded in a linear geometry to four equivalent Ir and two equivalent N atoms. All Cr–Ir bond lengths are 2.70 Å. Both Cr–N bond lengths are 1.91 Å. Ir is bonded to twelve equivalent Cr atoms to form IrCr12 cuboctahedra that share corners with twelve equivalent IrCr12 cuboctahedra, faces with six equivalent IrCr12 cuboctahedra, and faces with eight equivalent NCr6 octahedra. N is bonded to six equivalent Cr atoms to form NCr6 octahedra that share corners with six equivalent NCr6 octahedra and faces with eight equivalent IrCr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-505628

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; Cr3IrN; Cr-Ir-N

OSTI Identifier:: 1262655

DOI:: https://doi.org/10.17188/1262655

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                    The Materials Project. Materials Data on Cr3IrN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262655.

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                    The Materials Project. Materials Data on Cr3IrN by Materials Project.  United States.  doi:https://doi.org/10.17188/1262655

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                    The Materials Project. 2020.  
"Materials Data on Cr3IrN by Materials Project".  United States.  doi:https://doi.org/10.17188/1262655.  https://www.osti.gov/servlets/purl/1262655. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1262655,

  title        = {Materials Data on Cr3IrN by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cr3IrN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded in a linear geometry to four equivalent Ir and two equivalent N atoms. All Cr–Ir bond lengths are 2.70 Å. Both Cr–N bond lengths are 1.91 Å. Ir is bonded to twelve equivalent Cr atoms to form IrCr12 cuboctahedra that share corners with twelve equivalent IrCr12 cuboctahedra, faces with six equivalent IrCr12 cuboctahedra, and faces with eight equivalent NCr6 octahedra. N is bonded to six equivalent Cr atoms to form NCr6 octahedra that share corners with six equivalent NCr6 octahedra and faces with eight equivalent IrCr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1262655},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1262655

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