Materials Data on Na2SO3 by Materials Project

doi:10.17188/1196594

Title: Materials Data on Na2SO3 by Materials Project

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Abstract

Na2SO3 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 3-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.42 Å) and three longer (2.86 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to six equivalent O2- atoms to form face-sharing NaO6 octahedra. All Na–O bond lengths are 2.37 Å. In the third Na1+ site, Na1+ is bonded to six equivalent O2- atoms to form face-sharing NaO6 octahedra. All Na–O bond lengths are 2.49 Å. S4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All S–O bond lengths are 1.55 Å. O2- is bonded in a 5-coordinate geometry to four Na1+ and one S4+ atom.

Authors:: The Materials Project

Publication Date:: Tue Jul 18 00:00:00 EDT 2017

Other Number(s):: mp-21282

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; Na2SO3; Na-O-S

OSTI Identifier:: 1196594

DOI:: https://doi.org/10.17188/1196594

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                    The Materials Project. Materials Data on Na2SO3 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1196594.

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                    The Materials Project. Materials Data on Na2SO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196594

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                    The Materials Project. 2017.  
"Materials Data on Na2SO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196594.  https://www.osti.gov/servlets/purl/1196594. Pub date:Tue Jul 18 00:00:00 EDT 2017

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@article{osti_1196594,

  title        = {Materials Data on Na2SO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2SO3 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 3-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.42 Å) and three longer (2.86 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to six equivalent O2- atoms to form face-sharing NaO6 octahedra. All Na–O bond lengths are 2.37 Å. In the third Na1+ site, Na1+ is bonded to six equivalent O2- atoms to form face-sharing NaO6 octahedra. All Na–O bond lengths are 2.49 Å. S4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All S–O bond lengths are 1.55 Å. O2- is bonded in a 5-coordinate geometry to four Na1+ and one S4+ atom.},

  doi          = {10.17188/1196594},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 18 00:00:00 EDT 2017},

  month        = {Tue Jul 18 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1196594

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