Materials Data on NbI2O by Materials Project

doi:10.17188/1267394

Title: Materials Data on NbI2O by Materials Project

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Abstract

NbOI2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of two NbOI2 sheets oriented in the (1, 0, 0) direction. Nb4+ is bonded in a distorted linear geometry to two equivalent O2- and four I1- atoms. There is one shorter (1.85 Å) and one longer (2.12 Å) Nb–O bond length. There are two shorter (2.80 Å) and two longer (2.92 Å) Nb–I bond lengths. O2- is bonded in a linear geometry to two equivalent Nb4+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Nb4+ atoms. In the second I1- site, I1- is bonded in a distorted water-like geometry to two equivalent Nb4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-549720

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; NbI2O; I-Nb-O

OSTI Identifier:: 1267394

DOI:: https://doi.org/10.17188/1267394

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                    The Materials Project. Materials Data on NbI2O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267394.

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                    The Materials Project. Materials Data on NbI2O by Materials Project.  United States.  doi:https://doi.org/10.17188/1267394

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                    The Materials Project. 2020.  
"Materials Data on NbI2O by Materials Project".  United States.  doi:https://doi.org/10.17188/1267394.  https://www.osti.gov/servlets/purl/1267394. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1267394,

  title        = {Materials Data on NbI2O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NbOI2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of two NbOI2 sheets oriented in the (1, 0, 0) direction. Nb4+ is bonded in a distorted linear geometry to two equivalent O2- and four I1- atoms. There is one shorter (1.85 Å) and one longer (2.12 Å) Nb–O bond length. There are two shorter (2.80 Å) and two longer (2.92 Å) Nb–I bond lengths. O2- is bonded in a linear geometry to two equivalent Nb4+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Nb4+ atoms. In the second I1- site, I1- is bonded in a distorted water-like geometry to two equivalent Nb4+ atoms.},

  doi          = {10.17188/1267394},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1267394

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