Materials Data on IrN by Materials Project

doi:10.17188/1655773

Title: Materials Data on IrN by Materials Project

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Abstract

IrN is Boron Nitride structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ir3+ is bonded in a rectangular see-saw-like geometry to four equivalent N3- atoms. There are three shorter (2.04 Å) and one longer (2.10 Å) Ir–N bond lengths. N3- is bonded in a rectangular see-saw-like geometry to four equivalent Ir3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-1184774

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; IrN; Ir-N

OSTI Identifier:: 1655773

DOI:: https://doi.org/10.17188/1655773

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                    The Materials Project. Materials Data on IrN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1655773.

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                    The Materials Project. Materials Data on IrN by Materials Project.  United States.  doi:https://doi.org/10.17188/1655773

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                    The Materials Project. 2020.  
"Materials Data on IrN by Materials Project".  United States.  doi:https://doi.org/10.17188/1655773.  https://www.osti.gov/servlets/purl/1655773. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1655773,

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

  author       = {The Materials Project},

  abstractNote = {IrN is Boron Nitride structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ir3+ is bonded in a rectangular see-saw-like geometry to four equivalent N3- atoms. There are three shorter (2.04 Å) and one longer (2.10 Å) Ir–N bond lengths. N3- is bonded in a rectangular see-saw-like geometry to four equivalent Ir3+ atoms.},

  doi          = {10.17188/1655773},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1655773

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Materials Data on IrN by Materials Project

Dataset The Materials Project

IrN is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ir3+ is bonded to four equivalent N3- atoms to form corner-sharing IrN4 tetrahedra. All Ir–N bond lengths are 2.01 Å. N3- is bonded to four equivalent Ir3+ atoms to form corner-sharing NIr4 tetrahedra.
Materials Data on IrN by Materials Project

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IrN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ir3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing IrN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–N bond lengths are 2.20 Å. N3- is bonded to six equivalent Ir3+ atoms to form a mixture of edge and corner-sharing NIr6 octahedra. The corner-sharing octahedral tilt angles are 0°.
Materials Data on IrN by Materials Project

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IrN is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ir3+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Ir–N bond lengths are 2.39 Å. N3- is bonded in a body-centered cubic geometry to eight equivalent Ir3+ atoms.
Materials Data on IrN by Materials Project

Dataset The Materials Project

IrN crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Ir3+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Ir–N bond lengths are 2.04 Å. N3- is bonded in a 4-coordinate geometry to four equivalent Ir3+ atoms.
Materials Data on IrN by Materials Project

Dataset The Materials Project

IrN crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ir3+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Ir–N bond lengths are 2.05 Å. N3- is bonded in a square co-planar geometry to four equivalent Ir3+ atoms.

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