Materials Data on BiI3 by Materials Project

doi:10.17188/1199014

Title: Materials Data on BiI3 by Materials Project

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Abstract

BiI3 is Bismuth triodide structured and crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three BiI3 sheets oriented in the (0, 0, 1) direction. Bi3+ is bonded to six equivalent I1- atoms to form edge-sharing BiI6 octahedra. There are three shorter (3.10 Å) and three longer (3.13 Å) Bi–I bond lengths. I1- is bonded in an L-shaped geometry to two equivalent Bi3+ atoms.

Publication Date:: 2020-07-15

Other Number(s):: mp-22849

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:: 1199014

DOI:: https://doi.org/10.17188/1199014

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                    Materials Data on BiI3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199014.

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                    Materials Data on BiI3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199014

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                    2020.  
"Materials Data on BiI3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199014.  https://www.osti.gov/servlets/purl/1199014. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1199014,

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

  
  abstractNote = {BiI3 is Bismuth triodide structured and crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three BiI3 sheets oriented in the (0, 0, 1) direction. Bi3+ is bonded to six equivalent I1- atoms to form edge-sharing BiI6 octahedra. There are three shorter (3.10 Å) and three longer (3.13 Å) Bi–I bond lengths. I1- is bonded in an L-shaped geometry to two equivalent Bi3+ atoms.},

  doi          = {10.17188/1199014},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199014

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Materials Data on BiI3 by Materials Project

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BiI3 is Chromium trichloride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one BiI3 sheet oriented in the (0, 0, 1) direction. Bi3+ is bonded to six I1- atoms to form edge-sharing BiI6 octahedra. There are a spread of Bi–I bond distances ranging from 3.08–3.16 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent Bi3+ atoms. In the second I1- site, I1- is bonded in an L-shaped geometry to two equivalent Bi3+ atoms. In the third I1- site, I1-more »« less
Materials Data on BiI3 by Materials Project

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