Materials Data on BaSr3I8 by Materials Project

doi:10.17188/1289536

Title: Materials Data on BaSr3I8 by Materials Project

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Abstract

BaSr3I8 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Ba–I bond lengths are 3.59 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Sr–I bond lengths are 3.51 Å. In the second Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Sr–I bond lengths are 3.51 Å. I1- is bonded to one Ba2+ and three Sr2+ atoms to form a mixture of edge and corner-sharing IBaSr3 tetrahedra.

Publication Date:: 2020-05-01

Other Number(s):: mp-754736

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-I-Sr; BaSr3I8; crystal structure

OSTI Identifier:: 1289536

DOI:: https://doi.org/10.17188/1289536

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                    Materials Data on BaSr3I8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289536.

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                    Materials Data on BaSr3I8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289536

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                    2020.  
"Materials Data on BaSr3I8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289536.  https://www.osti.gov/servlets/purl/1289536. Pub date:Fri May 01 04:00:00 UTC 2020

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@article{osti_1289536,

  title        = {Materials Data on BaSr3I8 by Materials Project},

  
  abstractNote = {BaSr3I8 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Ba–I bond lengths are 3.59 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Sr–I bond lengths are 3.51 Å. In the second Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Sr–I bond lengths are 3.51 Å. I1- is bonded to one Ba2+ and three Sr2+ atoms to form a mixture of edge and corner-sharing IBaSr3 tetrahedra.},

  doi          = {10.17188/1289536},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1289536

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