Materials Data on ZrIN by Materials Project

doi:10.17188/1276800

Title: Materials Data on ZrIN by Materials Project

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Abstract

ZrNI crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ZrNI sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent I1- atoms. There are one shorter (2.17 Å) and three longer (2.21 Å) Zr–N bond lengths. All Zr–I bond lengths are 3.10 Å. N3- is bonded to four equivalent Zr4+ atoms to form a mixture of distorted edge and corner-sharing NZr4 trigonal pyramids. I1- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-580886

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; ZrIN; I-N-Zr

OSTI Identifier:: 1276800

DOI:: https://doi.org/10.17188/1276800

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                    The Materials Project. Materials Data on ZrIN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276800.

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                    The Materials Project. Materials Data on ZrIN by Materials Project.  United States.  doi:https://doi.org/10.17188/1276800

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                    The Materials Project. 2020.  
"Materials Data on ZrIN by Materials Project".  United States.  doi:https://doi.org/10.17188/1276800.  https://www.osti.gov/servlets/purl/1276800. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1276800,

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

  author       = {The Materials Project},

  abstractNote = {ZrNI crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ZrNI sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent I1- atoms. There are one shorter (2.17 Å) and three longer (2.21 Å) Zr–N bond lengths. All Zr–I bond lengths are 3.10 Å. N3- is bonded to four equivalent Zr4+ atoms to form a mixture of distorted edge and corner-sharing NZr4 trigonal pyramids. I1- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms.},

  doi          = {10.17188/1276800},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1276800

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