Materials Data on Si5C3 by Materials Project

doi:10.17188/1751294

Title: Materials Data on Si5C3 by Materials Project

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Abstract

Si5C3 crystallizes in the trigonal R3 space group. The structure is three-dimensional and consists of three silicon molecules and one Si4C3 framework. In the Si4C3 framework, there are two inequivalent Si+2.40+ sites. In the first Si+2.40+ site, Si+2.40+ is bonded in a trigonal planar geometry to three equivalent C4- atoms. All Si–C bond lengths are 1.85 Å. In the second Si+2.40+ site, Si+2.40+ is bonded in a bent 120 degrees geometry to two equivalent C4- atoms. There is one shorter (1.78 Å) and one longer (1.79 Å) Si–C bond length. C4- is bonded in a trigonal planar geometry to three Si+2.40+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1219306

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; Si5C3; C-Si

OSTI Identifier:: 1751294

DOI:: https://doi.org/10.17188/1751294

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                    The Materials Project. Materials Data on Si5C3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751294.

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                    The Materials Project. Materials Data on Si5C3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751294

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                    The Materials Project. 2020.  
"Materials Data on Si5C3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751294.  https://www.osti.gov/servlets/purl/1751294. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1751294,

  title        = {Materials Data on Si5C3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Si5C3 crystallizes in the trigonal R3 space group. The structure is three-dimensional and consists of three silicon molecules and one Si4C3 framework. In the Si4C3 framework, there are two inequivalent Si+2.40+ sites. In the first Si+2.40+ site, Si+2.40+ is bonded in a trigonal planar geometry to three equivalent C4- atoms. All Si–C bond lengths are 1.85 Å. In the second Si+2.40+ site, Si+2.40+ is bonded in a bent 120 degrees geometry to two equivalent C4- atoms. There is one shorter (1.78 Å) and one longer (1.79 Å) Si–C bond length. C4- is bonded in a trigonal planar geometry to three Si+2.40+ atoms.},

  doi          = {10.17188/1751294},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1751294

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