Materials Data on Ce(IO3)4 by Materials Project

doi:10.17188/1199546

Title: Materials Data on Ce(IO3)4 by Materials Project

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Abstract

Ce(IO3)4 crystallizes in the tetragonal P4_2/n space group. The structure is one-dimensional and consists of two Ce(IO3)4 ribbons oriented in the (0, 0, 1) direction. Ce4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.36 Å) and four longer (2.41 Å) Ce–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ce4+ and one I5+ atom. The O–I bond length is 1.86 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Ce4+ and one I5+ atom. The O–I bond length is 1.85 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.81 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms. The I–O bond length is 1.81 Å.

Publication Date:: 2020-07-22

Other Number(s):: mp-23493

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; Ce(IO3)4; Ce-I-O; crystal structure

OSTI Identifier:: 1199546

DOI:: https://doi.org/10.17188/1199546

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                    Materials Data on Ce(IO3)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199546.

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                    Materials Data on Ce(IO3)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199546

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                    2020.  
"Materials Data on Ce(IO3)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199546.  https://www.osti.gov/servlets/purl/1199546. Pub date:Wed Jul 22 04:00:00 UTC 2020

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@article{osti_1199546,

  title        = {Materials Data on Ce(IO3)4 by Materials Project},

  
  abstractNote = {Ce(IO3)4 crystallizes in the tetragonal P4_2/n space group. The structure is one-dimensional and consists of two Ce(IO3)4 ribbons oriented in the (0, 0, 1) direction. Ce4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.36 Å) and four longer (2.41 Å) Ce–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ce4+ and one I5+ atom. The O–I bond length is 1.86 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Ce4+ and one I5+ atom. The O–I bond length is 1.85 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.81 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms. The I–O bond length is 1.81 Å.},

  doi          = {10.17188/1199546},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199546

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