Materials Data on Na3SbO4 by Materials Project

doi:10.17188/1287923

Title: Materials Data on Na3SbO4 by Materials Project

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Abstract

Na3SbO4 is Caswellsilverite-like structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with six NaO6 octahedra, edges with four equivalent SbO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 17–21°. There are a spread of Na–O bond distances ranging from 2.37–2.45 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent SbO6 octahedra, edges with two equivalent SbO6 octahedra, and edges with ten NaO6 octahedra. The corner-sharing octahedra tilt angles range from 5–21°. There are a spread of Na–O bond distances ranging from 2.29–2.72 Å. In the third Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent NaO6 octahedra, edges with four equivalent SbO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 14–19°. There are a spread of Na–O bond distancesmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-7404

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; Na3SbO4; Na-O-Sb

OSTI Identifier:: 1287923

DOI:: https://doi.org/10.17188/1287923

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                    The Materials Project. Materials Data on Na3SbO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287923.

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                    The Materials Project. Materials Data on Na3SbO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287923

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                    The Materials Project. 2020.  
"Materials Data on Na3SbO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287923.  https://www.osti.gov/servlets/purl/1287923. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1287923,

  title        = {Materials Data on Na3SbO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3SbO4 is Caswellsilverite-like structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with six NaO6 octahedra, edges with four equivalent SbO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 17–21°. There are a spread of Na–O bond distances ranging from 2.37–2.45 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent SbO6 octahedra, edges with two equivalent SbO6 octahedra, and edges with ten NaO6 octahedra. The corner-sharing octahedra tilt angles range from 5–21°. There are a spread of Na–O bond distances ranging from 2.29–2.72 Å. In the third Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent NaO6 octahedra, edges with four equivalent SbO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 14–19°. There are a spread of Na–O bond distances ranging from 2.31–2.61 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six NaO6 octahedra, edges with two equivalent SbO6 octahedra, and edges with ten NaO6 octahedra. The corner-sharing octahedra tilt angles range from 5–14°. There are a spread of Sb–O bond distances ranging from 1.97–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one Sb5+ atom to form a mixture of distorted edge and corner-sharing ONa5Sb octahedra. The corner-sharing octahedra tilt angles range from 8–21°. In the second O2- site, O2- is bonded to four Na1+ and two equivalent Sb5+ atoms to form a mixture of distorted edge and corner-sharing ONa4Sb2 octahedra. The corner-sharing octahedra tilt angles range from 8–13°.},

  doi          = {10.17188/1287923},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1287923

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