Materials Data on Na4SnO3 by Materials Project

doi:10.17188/1202389

Title: Materials Data on Na4SnO3 by Materials Project

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Abstract

Na4SnO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing NaO5 square pyramids. There are a spread of Na–O bond distances ranging from 2.41–2.77 Å. In the second Na1+ site, Na1+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing NaO5 square pyramids. There are a spread of Na–O bond distances ranging from 2.39–2.62 Å. In the third Na1+ site, Na1+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.27–2.30 Å. In the fourth Na1+ site, Na1+ is bonded in a bent 150 degrees geometry to two equivalent O2- atoms. There are one shorter (2.28 Å) and one longer (2.29 Å) Na–O bond lengths. Sn2+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are one shorter (2.05 Å) and two longer (2.06 Å) Sn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ andmore »« less

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-28261

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; Na4SnO3; Na-O-Sn

OSTI Identifier:: 1202389

DOI:: https://doi.org/10.17188/1202389

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                    The Materials Project. Materials Data on Na4SnO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202389.

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                    The Materials Project. Materials Data on Na4SnO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202389

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                    The Materials Project. 2020.  
"Materials Data on Na4SnO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202389.  https://www.osti.gov/servlets/purl/1202389. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1202389,

  title        = {Materials Data on Na4SnO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na4SnO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing NaO5 square pyramids. There are a spread of Na–O bond distances ranging from 2.41–2.77 Å. In the second Na1+ site, Na1+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing NaO5 square pyramids. There are a spread of Na–O bond distances ranging from 2.39–2.62 Å. In the third Na1+ site, Na1+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.27–2.30 Å. In the fourth Na1+ site, Na1+ is bonded in a bent 150 degrees geometry to two equivalent O2- atoms. There are one shorter (2.28 Å) and one longer (2.29 Å) Na–O bond lengths. Sn2+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are one shorter (2.05 Å) and two longer (2.06 Å) Sn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Sn2+ atom. In the second O2- site, O2- is bonded to five Na1+ and one Sn2+ atom to form a mixture of distorted edge and corner-sharing ONa5Sn octahedra. The corner-sharing octahedra tilt angles range from 17–26°. In the third O2- site, O2- is bonded to five Na1+ and one Sn2+ atom to form a mixture of edge and corner-sharing ONa5Sn octahedra. The corner-sharing octahedra tilt angles range from 17–26°.},

  doi          = {10.17188/1202389},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202389

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