Materials Data on IN4 by Materials Project

doi:10.17188/1700270

Title: Materials Data on IN4 by Materials Project

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Abstract

IN4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of four IN4 ribbons oriented in the (1, 0, 0) direction. there are four inequivalent N+0.25+ sites. In the first N+0.25+ site, N+0.25+ is bonded in a 3-coordinate geometry to one N+0.25+ and two equivalent I1- atoms. The N–N bond length is 1.30 Å. There are one shorter (2.26 Å) and one longer (2.82 Å) N–I bond lengths. In the second N+0.25+ site, N+0.25+ is bonded in a 3-coordinate geometry to three N+0.25+ atoms. There is one shorter (1.33 Å) and one longer (1.37 Å) N–N bond length. In the third N+0.25+ site, N+0.25+ is bonded in a distorted single-bond geometry to one N+0.25+ and one I1- atom. The N–I bond length is 2.05 Å. In the fourth N+0.25+ site, N+0.25+ is bonded in a distorted water-like geometry to one N+0.25+ and one I1- atom. The N–I bond length is 2.13 Å. I1- is bonded in a 3-coordinate geometry to four N+0.25+ atoms.

Publication Date:: Sat May 02 04:00:00 UTC 2020

Other Number(s):: mp-1212209

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; I-N; IN4; crystal structure

OSTI Identifier:: 1700270

DOI:: https://doi.org/10.17188/1700270

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                    Materials Data on IN4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1700270.

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                    Materials Data on IN4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1700270

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                    2020.  
"Materials Data on IN4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1700270.  https://www.osti.gov/servlets/purl/1700270. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1700270,

  title        = {Materials Data on IN4 by Materials Project},

  
  abstractNote = {IN4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of four IN4 ribbons oriented in the (1, 0, 0) direction. there are four inequivalent N+0.25+ sites. In the first N+0.25+ site, N+0.25+ is bonded in a 3-coordinate geometry to one N+0.25+ and two equivalent I1- atoms. The N–N bond length is 1.30 Å. There are one shorter (2.26 Å) and one longer (2.82 Å) N–I bond lengths. In the second N+0.25+ site, N+0.25+ is bonded in a 3-coordinate geometry to three N+0.25+ atoms. There is one shorter (1.33 Å) and one longer (1.37 Å) N–N bond length. In the third N+0.25+ site, N+0.25+ is bonded in a distorted single-bond geometry to one N+0.25+ and one I1- atom. The N–I bond length is 2.05 Å. In the fourth N+0.25+ site, N+0.25+ is bonded in a distorted water-like geometry to one N+0.25+ and one I1- atom. The N–I bond length is 2.13 Å. I1- is bonded in a 3-coordinate geometry to four N+0.25+ atoms.},

  doi          = {10.17188/1700270},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 04:00:00 UTC 2020},

  month        = {Sat May 02 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1700270

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