Materials Data on SiO2 by Materials Project

doi:10.17188/1270027

Title: Materials Data on SiO2 by Materials Project

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Abstract

SiO2 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Si4+ is bonded to four O2- atoms to form distorted corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.56–1.78 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms.

Publication Date:: 2014-03-22

Other Number(s):: mp-557814

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; O-Si; SiO2; crystal structure

OSTI Identifier:: 1270027

DOI:: https://doi.org/10.17188/1270027

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                    Materials Data on SiO2 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1270027.

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                    Materials Data on SiO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270027

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                    2014.  
"Materials Data on SiO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270027.  https://www.osti.gov/servlets/purl/1270027. Pub date:Sat Mar 22 04:00:00 UTC 2014

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@article{osti_1270027,

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

  
  abstractNote = {SiO2 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Si4+ is bonded to four O2- atoms to form distorted corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.56–1.78 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms.},

  doi          = {10.17188/1270027},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2014},

  month        = {3}

}

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DOI: https://doi.org/10.17188/1270027

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