Materials Data on Si3O by Materials Project

doi:10.17188/1206309

Title: Materials Data on Si3O by Materials Project

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Abstract

Si3O crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Si sites. In the first Si site, Si is bonded in a single-bond geometry to two equivalent Si and one O atom. Both Si–Si bond lengths are 2.49 Å. The Si–O bond length is 1.61 Å. In the second Si site, Si is bonded in a single-bond geometry to two equivalent Si and one O atom. There are one shorter (2.46 Å) and one longer (2.49 Å) Si–Si bond lengths. The Si–O bond length is 1.64 Å. In the third Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. There are two inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Si atoms. In the second O site, O is bonded in a linear geometry to two equivalent Si atoms.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-32566

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; Si3O; O-Si

OSTI Identifier:: 1206309

DOI:: https://doi.org/10.17188/1206309

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                    The Materials Project. Materials Data on Si3O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206309.

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                    The Materials Project. Materials Data on Si3O by Materials Project.  United States.  doi:https://doi.org/10.17188/1206309

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                    The Materials Project. 2020.  
"Materials Data on Si3O by Materials Project".  United States.  doi:https://doi.org/10.17188/1206309.  https://www.osti.gov/servlets/purl/1206309. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1206309,

  title        = {Materials Data on Si3O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Si3O crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Si sites. In the first Si site, Si is bonded in a single-bond geometry to two equivalent Si and one O atom. Both Si–Si bond lengths are 2.49 Å. The Si–O bond length is 1.61 Å. In the second Si site, Si is bonded in a single-bond geometry to two equivalent Si and one O atom. There are one shorter (2.46 Å) and one longer (2.49 Å) Si–Si bond lengths. The Si–O bond length is 1.64 Å. In the third Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. There are two inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Si atoms. In the second O site, O is bonded in a linear geometry to two equivalent Si atoms.},

  doi          = {10.17188/1206309},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1206309

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