Materials Data on Na2SO4 by Materials Project

doi:10.17188/1208392

Title: Materials Data on Na2SO4 by Materials Project

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Abstract

Na2SO4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with four equivalent NaO6 pentagonal pyramids, corners with four equivalent SO4 tetrahedra, edges with four equivalent NaO6 pentagonal pyramids, and an edgeedge with one SO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.37–2.56 Å. S6+ is bonded to four equivalent O2- atoms to form SO4 tetrahedra that share corners with eight equivalent NaO6 pentagonal pyramids and edges with two equivalent NaO6 pentagonal pyramids. All S–O bond lengths are 1.50 Å. O2- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one S6+ atom.

Publication Date:: 2017-07-18

Other Number(s):: mp-4770

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; Na-O-S; Na2SO4; crystal structure

OSTI Identifier:: 1208392

DOI:: https://doi.org/10.17188/1208392

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                    Materials Data on Na2SO4 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1208392.

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                    Materials Data on Na2SO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1208392

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                    2017.  
"Materials Data on Na2SO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1208392.  https://www.osti.gov/servlets/purl/1208392. Pub date:Tue Jul 18 04:00:00 UTC 2017

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@article{osti_1208392,

  title        = {Materials Data on Na2SO4 by Materials Project},

  
  abstractNote = {Na2SO4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with four equivalent NaO6 pentagonal pyramids, corners with four equivalent SO4 tetrahedra, edges with four equivalent NaO6 pentagonal pyramids, and an edgeedge with one SO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.37–2.56 Å. S6+ is bonded to four equivalent O2- atoms to form SO4 tetrahedra that share corners with eight equivalent NaO6 pentagonal pyramids and edges with two equivalent NaO6 pentagonal pyramids. All S–O bond lengths are 1.50 Å. O2- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one S6+ atom.},

  doi          = {10.17188/1208392},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1208392

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