Materials Data on IO2 by Materials Project

doi:10.17188/1199291

Title: Materials Data on IO2 by Materials Project

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Abstract

O2I crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one O2I sheet oriented in the (1, 0, 0) direction. there are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three I atoms. There are a spread of O–I bond distances ranging from 1.85–2.74 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent I atoms. There are one shorter (1.81 Å) and one longer (2.58 Å) O–I bond lengths. In the third O site, O is bonded in a bent 120 degrees geometry to two I atoms. There are one shorter (1.94 Å) and one longer (2.13 Å) O–I bond lengths. In the fourth O site, O is bonded in a bent 120 degrees geometry to two I atoms. There are one shorter (1.94 Å) and one longer (2.17 Å) O–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a 2-coordinate geometry to four O atoms. In the second I site, I is bonded to five O atoms to form distorted corner-sharing IO5 square pyramids.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-23170

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; IO2; I-O

OSTI Identifier:: 1199291

DOI:: https://doi.org/10.17188/1199291

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                    The Materials Project. Materials Data on IO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199291.

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                    The Materials Project. Materials Data on IO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199291

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                    The Materials Project. 2020.  
"Materials Data on IO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199291.  https://www.osti.gov/servlets/purl/1199291. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1199291,

  title        = {Materials Data on IO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {O2I crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one O2I sheet oriented in the (1, 0, 0) direction. there are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three I atoms. There are a spread of O–I bond distances ranging from 1.85–2.74 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent I atoms. There are one shorter (1.81 Å) and one longer (2.58 Å) O–I bond lengths. In the third O site, O is bonded in a bent 120 degrees geometry to two I atoms. There are one shorter (1.94 Å) and one longer (2.13 Å) O–I bond lengths. In the fourth O site, O is bonded in a bent 120 degrees geometry to two I atoms. There are one shorter (1.94 Å) and one longer (2.17 Å) O–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a 2-coordinate geometry to four O atoms. In the second I site, I is bonded to five O atoms to form distorted corner-sharing IO5 square pyramids.},

  doi          = {10.17188/1199291},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199291

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