Materials Data on Si(H3C)4 by Materials Project

doi:10.17188/1315942

Title: Materials Data on Si(H3C)4 by Materials Project

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Abstract

Si(CH3)4 is Silicon tetrafluoride-derived structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight tetramethylsilane molecules. Si4+ is bonded in a tetrahedral geometry to four C4- atoms. All Si–C bond lengths are 1.89 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to one Si4+ and three equivalent H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the second C4- site, C4- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-978526

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; Si(H3C)4; C-H-Si

OSTI Identifier:: 1315942

DOI:: https://doi.org/10.17188/1315942

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                    The Materials Project. Materials Data on Si(H3C)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315942.

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                    The Materials Project. Materials Data on Si(H3C)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1315942

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                    The Materials Project. 2020.  
"Materials Data on Si(H3C)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1315942.  https://www.osti.gov/servlets/purl/1315942. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1315942,

  title        = {Materials Data on Si(H3C)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Si(CH3)4 is Silicon tetrafluoride-derived structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight tetramethylsilane molecules. Si4+ is bonded in a tetrahedral geometry to four C4- atoms. All Si–C bond lengths are 1.89 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to one Si4+ and three equivalent H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the second C4- site, C4- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom.},

  doi          = {10.17188/1315942},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1315942

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