Materials Data on SiI3 by Materials Project

doi:10.17188/1203176

Title: Materials Data on SiI3 by Materials Project

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Abstract

SiI3 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four hexaiododisilane molecules. there are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted tetrahedral geometry to one Si and three I atoms. The Si–Si bond length is 2.37 Å. All Si–I bond lengths are 2.46 Å. In the second Si site, Si is bonded in a distorted tetrahedral geometry to one Si and three I atoms. All Si–I bond lengths are 2.46 Å. There are four inequivalent I sites. In the first I site, I is bonded in a single-bond geometry to one Si atom. In the second I site, I is bonded in a single-bond geometry to one Si atom. In the third I site, I is bonded in a single-bond geometry to one Si atom. In the fourth I site, I is bonded in a single-bond geometry to one Si atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-29109

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; SiI3; I-Si

OSTI Identifier:: 1203176

DOI:: https://doi.org/10.17188/1203176

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                    The Materials Project. Materials Data on SiI3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203176.

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                    The Materials Project. Materials Data on SiI3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203176

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                    The Materials Project. 2020.  
"Materials Data on SiI3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203176.  https://www.osti.gov/servlets/purl/1203176. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1203176,

  title        = {Materials Data on SiI3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SiI3 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four hexaiododisilane molecules. there are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted tetrahedral geometry to one Si and three I atoms. The Si–Si bond length is 2.37 Å. All Si–I bond lengths are 2.46 Å. In the second Si site, Si is bonded in a distorted tetrahedral geometry to one Si and three I atoms. All Si–I bond lengths are 2.46 Å. There are four inequivalent I sites. In the first I site, I is bonded in a single-bond geometry to one Si atom. In the second I site, I is bonded in a single-bond geometry to one Si atom. In the third I site, I is bonded in a single-bond geometry to one Si atom. In the fourth I site, I is bonded in a single-bond geometry to one Si atom.},

  doi          = {10.17188/1203176},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1203176

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