Materials Data on Bi2H18C3(IN)9 by Materials Project

doi:10.17188/1344565

Title: Materials Data on Bi2H18C3(IN)9 by Materials Project

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Abstract

(CN3H6)3Bi2I9 crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of twelve guanidinium molecules and four Bi2I9 clusters. In each Bi2I9 cluster, Bi3+ is bonded to six I1- atoms to form face-sharing BiI6 octahedra. There are a spread of Bi–I bond distances ranging from 2.97–3.32 Å. There are four 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 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. In the fourth I1- site, I1- is bonded in an L-shaped geometry to two equivalent Bi3+ atoms.

Publication Date:: Fri May 29 04:00:00 UTC 2020

Other Number(s):: mp-1016214

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; Bi2H18C3(IN)9; crystal structure

OSTI Identifier:: 1344565

DOI:: https://doi.org/10.17188/1344565

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                    Materials Data on Bi2H18C3(IN)9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1344565.

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                    Materials Data on Bi2H18C3(IN)9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1344565

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                    2020.  
"Materials Data on Bi2H18C3(IN)9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1344565.  https://www.osti.gov/servlets/purl/1344565. Pub date:Fri May 29 04:00:00 UTC 2020

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@article{osti_1344565,

  title        = {Materials Data on Bi2H18C3(IN)9 by Materials Project},

  
  abstractNote = {(CN3H6)3Bi2I9 crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of twelve guanidinium molecules and four Bi2I9 clusters. In each Bi2I9 cluster, Bi3+ is bonded to six I1- atoms to form face-sharing BiI6 octahedra. There are a spread of Bi–I bond distances ranging from 2.97–3.32 Å. There are four 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 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. In the fourth I1- site, I1- is bonded in an L-shaped geometry to two equivalent Bi3+ atoms.},

  doi          = {10.17188/1344565},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 29 04:00:00 UTC 2020},

  month        = {Fri May 29 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1344565

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