Materials Data on SiH8(CBr)4 by Materials Project

doi:10.17188/1750590

Title: Materials Data on SiH8(CBr)4 by Materials Project

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Abstract

SiH8(CBr)4 is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of two tetrakis(bromomethyl)silane molecules. Si4+ is bonded in a tetrahedral geometry to four equivalent C2- atoms. All Si–C bond lengths are 1.89 Å. C2- is bonded to one Si4+, two H1+, and one Br1- atom to form distorted corner-sharing CSiH2Br tetrahedra. There is one shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. The C–Br bond length is 1.97 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. Br1- is bonded in a single-bond geometry to one C2- atom.

Publication Date:: Sat May 02 04:00:00 UTC 2020

Other Number(s):: mp-1198339

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; Br-C-H-Si; SiH8(CBr)4; crystal structure

OSTI Identifier:: 1750590

DOI:: https://doi.org/10.17188/1750590

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                    Materials Data on SiH8(CBr)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1750590.

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                    Materials Data on SiH8(CBr)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1750590

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                    2020.  
"Materials Data on SiH8(CBr)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1750590.  https://www.osti.gov/servlets/purl/1750590. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1750590,

  title        = {Materials Data on SiH8(CBr)4 by Materials Project},

  
  abstractNote = {SiH8(CBr)4 is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of two tetrakis(bromomethyl)silane molecules. Si4+ is bonded in a tetrahedral geometry to four equivalent C2- atoms. All Si–C bond lengths are 1.89 Å. C2- is bonded to one Si4+, two H1+, and one Br1- atom to form distorted corner-sharing CSiH2Br tetrahedra. There is one shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. The C–Br bond length is 1.97 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. Br1- is bonded in a single-bond geometry to one C2- atom.},

  doi          = {10.17188/1750590},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 04:00:00 UTC 2020},

  month        = {Sat May 02 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1750590

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