Materials Data on BiH24C6(I2N)3 by Materials Project

doi:10.17188/1272959

Title: Materials Data on BiH24C6(I2N)3 by Materials Project

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Abstract

((CH3)2NH2)3BiI6 is Silicon tetrafluoride-derived structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of thirty-six dimethylazanium molecules and twelve BiI6 clusters. In each BiI6 cluster, Bi3+ is bonded in an octahedral geometry to six I1- atoms. There are a spread of Bi–I bond distances ranging from 3.11–3.16 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Bi3+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Bi3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Bi3+ atom.

Publication Date:: 2014-02-18

Other Number(s):: mp-601924

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-C-H-I-N; BiH24C6(I2N)3; crystal structure

OSTI Identifier:: 1272959

DOI:: https://doi.org/10.17188/1272959

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                    Materials Data on BiH24C6(I2N)3 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1272959.

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                    Materials Data on BiH24C6(I2N)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272959

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                    2014.  
"Materials Data on BiH24C6(I2N)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272959.  https://www.osti.gov/servlets/purl/1272959. Pub date:Tue Feb 18 23:00:00 EST 2014

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@article{osti_1272959,

  title        = {Materials Data on BiH24C6(I2N)3 by Materials Project},

  
  abstractNote = {((CH3)2NH2)3BiI6 is Silicon tetrafluoride-derived structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of thirty-six dimethylazanium molecules and twelve BiI6 clusters. In each BiI6 cluster, Bi3+ is bonded in an octahedral geometry to six I1- atoms. There are a spread of Bi–I bond distances ranging from 3.11–3.16 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Bi3+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Bi3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Bi3+ atom.},

  doi          = {10.17188/1272959},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2014},

  month        = {2}

}

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DOI: https://doi.org/10.17188/1272959

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