Materials Data on BiI3 by Materials Project

doi:10.17188/1325043

Title: Materials Data on BiI3 by Materials Project

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Abstract

BiI3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Bi3+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Bi–I bond lengths are 3.52 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All I–I bond lengths are 3.52 Å. In the second I1- site, I1- is bonded to four equivalent Bi3+ and four equivalent I1- atoms to form a mixture of distorted edge, corner, and face-sharing IBi4I4 tetrahedra.

Publication Date:: 2020-07-24

Other Number(s):: mp-1008490

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; Bi-I; BiI3; crystal structure

OSTI Identifier:: 1325043

DOI:: https://doi.org/10.17188/1325043

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                    Materials Data on BiI3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1325043.

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                    Materials Data on BiI3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1325043

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                    2020.  
"Materials Data on BiI3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1325043.  https://www.osti.gov/servlets/purl/1325043. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1325043,

  title        = {Materials Data on BiI3 by Materials Project},

  
  abstractNote = {BiI3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Bi3+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Bi–I bond lengths are 3.52 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All I–I bond lengths are 3.52 Å. In the second I1- site, I1- is bonded to four equivalent Bi3+ and four equivalent I1- atoms to form a mixture of distorted edge, corner, and face-sharing IBi4I4 tetrahedra.},

  doi          = {10.17188/1325043},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1325043

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Materials Data on BiI3 by Materials Project

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