Materials Data on Na2Si2O5 by Materials Project

doi:10.17188/1192261

Title: Materials Data on Na2Si2O5 by Materials Project

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Abstract

Na2Si2O5 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Na1+ is bonded to five O2- atoms to form distorted NaO5 trigonal bipyramids that share corners with four equivalent SiO4 tetrahedra, corners with four equivalent NaO5 trigonal bipyramids, an edgeedge with one SiO4 tetrahedra, and edges with four equivalent NaO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.32–2.64 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent SiO4 tetrahedra, corners with four equivalent NaO5 trigonal bipyramids, and an edgeedge with one NaO5 trigonal bipyramid. There are a spread of Si–O bond distances ranging from 1.60–1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Na1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent Si4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-16970

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; Na2Si2O5; Na-O-Si

OSTI Identifier:: 1192261

DOI:: https://doi.org/10.17188/1192261

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                    The Materials Project. Materials Data on Na2Si2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192261.

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                    The Materials Project. Materials Data on Na2Si2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192261

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                    The Materials Project. 2020.  
"Materials Data on Na2Si2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192261.  https://www.osti.gov/servlets/purl/1192261. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1192261,

  title        = {Materials Data on Na2Si2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2Si2O5 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Na1+ is bonded to five O2- atoms to form distorted NaO5 trigonal bipyramids that share corners with four equivalent SiO4 tetrahedra, corners with four equivalent NaO5 trigonal bipyramids, an edgeedge with one SiO4 tetrahedra, and edges with four equivalent NaO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.32–2.64 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent SiO4 tetrahedra, corners with four equivalent NaO5 trigonal bipyramids, and an edgeedge with one NaO5 trigonal bipyramid. There are a spread of Si–O bond distances ranging from 1.60–1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Na1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent Si4+ atoms.},

  doi          = {10.17188/1192261},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192261

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