Materials Data on INO3 by Materials Project

doi:10.17188/1289507

Title: Materials Data on INO3 by Materials Project

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Abstract

IONO2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two IONO2 ribbons oriented in the (0, 0, 1) direction. N1+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N1+ and one I5+ atom. The O–I bond length is 2.26 Å. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N1+ and one I5+ atom. The O–I bond length is 2.22 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. I5+ is bonded in a linear geometry to two O2- atoms.

Authors:: The Materials Project

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

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)

Contributing Org.:: MIT; UC Berkeley; Duke; U Louvain

OSTI Identifier:: 1289507

Report Number(s):: mp-754661

DOE Contract Number:: AC02-05CH11231; EDCBEE

Resource Type:: Data

Resource Relation:: Related Information: https://materialsproject.org/citing

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; crystal structure; INO3; I-N-O

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                    The Materials Project. Materials Data on INO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289507.

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                    The Materials Project. Materials Data on INO3 by Materials Project.  United States.  https://doi.org/10.17188/1289507

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                    The Materials Project. 2020.  
        "Materials Data on INO3 by Materials Project".  United States.  https://doi.org/10.17188/1289507.  https://www.osti.gov/servlets/purl/1289507.

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@article{osti_1289507,

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

  author       = {The Materials Project},

  abstractNote = {IONO2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two IONO2 ribbons oriented in the (0, 0, 1) direction. N1+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N1+ and one I5+ atom. The O–I bond length is 2.26 Å. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N1+ and one I5+ atom. The O–I bond length is 2.22 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. I5+ is bonded in a linear geometry to two O2- atoms.},

  doi          = {10.17188/1289507},

  url          = {https://www.osti.gov/biblio/1289507},
  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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