Materials Data on Si2Cl2O3 by Materials Project

doi:10.17188/1203020

Title: Materials Data on Si2Cl2O3 by Materials Project

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Abstract

Si2O3Cl2 is beta Polonium structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three perchlorooctasilsesquioxane molecules. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to three O2- and one Cl1- atom to form corner-sharing SiClO3 tetrahedra. All Si–O bond lengths are 1.63 Å. The Si–Cl bond length is 2.02 Å. In the second Si4+ site, Si4+ is bonded to three equivalent O2- and one Cl1- atom to form corner-sharing SiClO3 tetrahedra. All Si–O bond lengths are 1.63 Å. The Si–Cl bond length is 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Si4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Si4+ atom.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-28959

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; Si2Cl2O3; Cl-O-Si

OSTI Identifier:: 1203020

DOI:: https://doi.org/10.17188/1203020

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                    The Materials Project. Materials Data on Si2Cl2O3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203020.

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                    The Materials Project. Materials Data on Si2Cl2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203020

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                    The Materials Project. 2020.  
"Materials Data on Si2Cl2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203020.  https://www.osti.gov/servlets/purl/1203020. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1203020,

  title        = {Materials Data on Si2Cl2O3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Si2O3Cl2 is beta Polonium structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three perchlorooctasilsesquioxane molecules. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to three O2- and one Cl1- atom to form corner-sharing SiClO3 tetrahedra. All Si–O bond lengths are 1.63 Å. The Si–Cl bond length is 2.02 Å. In the second Si4+ site, Si4+ is bonded to three equivalent O2- and one Cl1- atom to form corner-sharing SiClO3 tetrahedra. All Si–O bond lengths are 1.63 Å. The Si–Cl bond length is 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Si4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Si4+ atom.},

  doi          = {10.17188/1203020},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1203020

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