Materials Data on SiO2 by Materials Project

doi:10.17188/1270472

Title: Materials Data on SiO2 by Materials Project

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Abstract

SiO2 is beta Vanadium nitride-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SiO6 octahedra. The corner-sharing octahedra tilt angles range from 21–54°. There are a spread of Si–O bond distances ranging from 1.75–1.83 Å. In the second Si4+ site, Si4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SiO6 octahedra. The corner-sharing octahedra tilt angles range from 48–54°. There is four shorter (1.79 Å) and two longer (1.82 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Si4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Si4+ atoms. In the third O2- site, O2- is bonded in a T-shaped geometry to three equivalent Si4+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-558733

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; SiO2; O-Si

OSTI Identifier:: 1270472

DOI:: https://doi.org/10.17188/1270472

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                    The Materials Project. Materials Data on SiO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270472.

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                    The Materials Project. Materials Data on SiO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270472

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                    The Materials Project. 2020.  
"Materials Data on SiO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270472.  https://www.osti.gov/servlets/purl/1270472. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1270472,

  title        = {Materials Data on SiO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SiO2 is beta Vanadium nitride-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SiO6 octahedra. The corner-sharing octahedra tilt angles range from 21–54°. There are a spread of Si–O bond distances ranging from 1.75–1.83 Å. In the second Si4+ site, Si4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SiO6 octahedra. The corner-sharing octahedra tilt angles range from 48–54°. There is four shorter (1.79 Å) and two longer (1.82 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Si4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Si4+ atoms. In the third O2- site, O2- is bonded in a T-shaped geometry to three equivalent Si4+ atoms.},

  doi          = {10.17188/1270472},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1270472

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