Materials Data on Tl(IO3)3 by Materials Project

doi:10.17188/1313696

Title: Materials Data on Tl(IO3)3 by Materials Project

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Abstract

Tl(IO3)3 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Tl(IO3)3 sheets oriented in the (0, 0, 1) direction. Tl3+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.28 Å) and three longer (2.29 Å) Tl–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tl3+ and one I5+ atom. The O–I bond length is 1.84 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.84 Å. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Tl3+ and one I5+ atom. The O–I bond length is 1.86 Å. I5+ is bonded in a 4-coordinate geometry to three O2- atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-972032

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; Tl(IO3)3; I-O-Tl

OSTI Identifier:: 1313696

DOI:: https://doi.org/10.17188/1313696

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                    The Materials Project. Materials Data on Tl(IO3)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313696.

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                    The Materials Project. Materials Data on Tl(IO3)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313696

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                    The Materials Project. 2020.  
"Materials Data on Tl(IO3)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313696.  https://www.osti.gov/servlets/purl/1313696. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1313696,

  title        = {Materials Data on Tl(IO3)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tl(IO3)3 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Tl(IO3)3 sheets oriented in the (0, 0, 1) direction. Tl3+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.28 Å) and three longer (2.29 Å) Tl–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tl3+ and one I5+ atom. The O–I bond length is 1.84 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.84 Å. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Tl3+ and one I5+ atom. The O–I bond length is 1.86 Å. I5+ is bonded in a 4-coordinate geometry to three O2- atoms.},

  doi          = {10.17188/1313696},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1313696

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