Materials Data on IO2F by Materials Project

doi:10.17188/1204380

Title: Materials Data on IO2F by Materials Project

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Abstract

O2IF crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two O2IF ribbons oriented in the (0, 1, 0) direction. there are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent I5+ atoms. There are one shorter (1.84 Å) and one longer (2.23 Å) O–I bond lengths. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.79 Å. I5+ is bonded in a 4-coordinate geometry to three O2- and one F1- atom. The I–F bond length is 1.95 Å. F1- is bonded in a single-bond geometry to one I5+ atom.

Publication Date:: 2020-07-17

Other Number(s):: mp-29946

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; F-I-O; IO2F; crystal structure

OSTI Identifier:: 1204380

DOI:: https://doi.org/10.17188/1204380

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                    Materials Data on IO2F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204380.

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                    Materials Data on IO2F by Materials Project.  United States.  doi:https://doi.org/10.17188/1204380

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                    2020.  
"Materials Data on IO2F by Materials Project".  United States.  doi:https://doi.org/10.17188/1204380.  https://www.osti.gov/servlets/purl/1204380. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1204380,

  title        = {Materials Data on IO2F by Materials Project},

  
  abstractNote = {O2IF crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two O2IF ribbons oriented in the (0, 1, 0) direction. there are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent I5+ atoms. There are one shorter (1.84 Å) and one longer (2.23 Å) O–I bond lengths. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.79 Å. I5+ is bonded in a 4-coordinate geometry to three O2- and one F1- atom. The I–F bond length is 1.95 Å. F1- is bonded in a single-bond geometry to one I5+ atom.},

  doi          = {10.17188/1204380},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204380

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