Materials Data on INO3 by Materials Project

doi:10.17188/1740488

Title: Materials Data on INO3 by Materials Project

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Abstract

IONO2 crystallizes in the orthorhombic Pna2_1 space group. The structure is one-dimensional and consists of four nitroxyl molecules and two O2I ribbons oriented in the (0, 0, 1) direction. In each O2I ribbon, there are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.85 Å. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent I5+ atoms. There are one shorter (1.90 Å) and one longer (2.32 Å) O–I bond lengths. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1181075

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; INO3; I-N-O

OSTI Identifier:: 1740488

DOI:: https://doi.org/10.17188/1740488

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                    The Materials Project. Materials Data on INO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740488.

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                    The Materials Project. Materials Data on INO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740488

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                    The Materials Project. 2020.  
"Materials Data on INO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740488.  https://www.osti.gov/servlets/purl/1740488. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1740488,

  title        = {Materials Data on INO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {IONO2 crystallizes in the orthorhombic Pna2_1 space group. The structure is one-dimensional and consists of four nitroxyl molecules and two O2I ribbons oriented in the (0, 0, 1) direction. In each O2I ribbon, there are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.85 Å. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent I5+ atoms. There are one shorter (1.90 Å) and one longer (2.32 Å) O–I bond lengths. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.},

  doi          = {10.17188/1740488},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1740488

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