Materials Data on Ba(IO3)2 by Materials Project

doi:10.17188/1205326

Title: Materials Data on Ba(IO3)2 by Materials Project

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Abstract

Ba(IO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.80–3.17 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+ and one I5+ atom. The O–I bond length is 1.83 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one I5+ atom. The O–I bond length is 1.83 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one I5+ atom. The O–I bond length is 1.84 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.

Publication Date:: 2020-07-14

Other Number(s):: mp-30991

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; Ba(IO3)2; Ba-I-O; crystal structure

OSTI Identifier:: 1205326

DOI:: https://doi.org/10.17188/1205326

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                    Materials Data on Ba(IO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205326.

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                    Materials Data on Ba(IO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205326

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                    2020.  
"Materials Data on Ba(IO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205326.  https://www.osti.gov/servlets/purl/1205326. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1205326,

  title        = {Materials Data on Ba(IO3)2 by Materials Project},

  
  abstractNote = {Ba(IO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.80–3.17 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+ and one I5+ atom. The O–I bond length is 1.83 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one I5+ atom. The O–I bond length is 1.83 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one I5+ atom. The O–I bond length is 1.84 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.},

  doi          = {10.17188/1205326},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205326

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