Materials Data on Na3PSO3 by Materials Project

doi:10.17188/1266426

Title: Materials Data on Na3PSO3 by Materials Project

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Abstract

Na3PO3S crystallizes in the trigonal R3c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to two equivalent S2- and four equivalent O2- atoms. There are one shorter (2.95 Å) and one longer (3.03 Å) Na–S bond lengths. There are a spread of Na–O bond distances ranging from 2.38–2.59 Å. P5+ is bonded in a distorted tetrahedral geometry to one S2- and three equivalent O2- atoms. The P–S bond length is 2.10 Å. All P–O bond lengths are 1.55 Å. S2- is bonded in a 7-coordinate geometry to six equivalent Na1+ and one P5+ atom. O2- is bonded to four equivalent Na1+ and one P5+ atom to form a mixture of distorted edge and corner-sharing ONa4P trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-542136

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; Na3PSO3; Na-O-P-S

OSTI Identifier:: 1266426

DOI:: https://doi.org/10.17188/1266426

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                    The Materials Project. Materials Data on Na3PSO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266426.

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                    The Materials Project. Materials Data on Na3PSO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266426

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                    The Materials Project. 2020.  
"Materials Data on Na3PSO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266426.  https://www.osti.gov/servlets/purl/1266426. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1266426,

  title        = {Materials Data on Na3PSO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3PO3S crystallizes in the trigonal R3c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to two equivalent S2- and four equivalent O2- atoms. There are one shorter (2.95 Å) and one longer (3.03 Å) Na–S bond lengths. There are a spread of Na–O bond distances ranging from 2.38–2.59 Å. P5+ is bonded in a distorted tetrahedral geometry to one S2- and three equivalent O2- atoms. The P–S bond length is 2.10 Å. All P–O bond lengths are 1.55 Å. S2- is bonded in a 7-coordinate geometry to six equivalent Na1+ and one P5+ atom. O2- is bonded to four equivalent Na1+ and one P5+ atom to form a mixture of distorted edge and corner-sharing ONa4P trigonal bipyramids.},

  doi          = {10.17188/1266426},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1266426

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