Materials Data on IO3 by Materials Project

doi:10.17188/1731861

Title: Materials Data on IO3 by Materials Project

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Abstract

IO3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are three inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two equivalent I atoms. There are one shorter (1.85 Å) and one longer (2.40 Å) O–I bond lengths. In the second O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent I atoms. There are one shorter (1.87 Å) and one longer (2.20 Å) O–I bond lengths. In the third O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent I atoms. There are one shorter (1.89 Å) and one longer (2.20 Å) O–I bond lengths. I is bonded to six O atoms to form distorted corner-sharing IO6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1181185

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; IO3; I-O

OSTI Identifier:: 1731861

DOI:: https://doi.org/10.17188/1731861

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                    The Materials Project. Materials Data on IO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1731861.

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                    The Materials Project. Materials Data on IO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1731861

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                    The Materials Project. 2020.  
"Materials Data on IO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1731861.  https://www.osti.gov/servlets/purl/1731861. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1731861,

  title        = {Materials Data on IO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {IO3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are three inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two equivalent I atoms. There are one shorter (1.85 Å) and one longer (2.40 Å) O–I bond lengths. In the second O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent I atoms. There are one shorter (1.87 Å) and one longer (2.20 Å) O–I bond lengths. In the third O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent I atoms. There are one shorter (1.89 Å) and one longer (2.20 Å) O–I bond lengths. I is bonded to six O atoms to form distorted corner-sharing IO6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°.},

  doi          = {10.17188/1731861},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1731861

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