Materials Data on Na4TeO5 by Materials Project

doi:10.17188/1191152

Title: Materials Data on Na4TeO5 by Materials Project

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Abstract

Na4TeO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.09–2.54 Å. In the second Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.10–2.44 Å. In the third Na1+ site, Na1+ is bonded in a 12-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.54 Å. In the fourth Na1+ site, Na1+ is bonded in a 12-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.77–2.99 Å. In the fifth Na1+ site, Na1+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.47–2.79 Å. Te6+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.83–2.44 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry tomore »« less

Authors:: The Materials Project

Publication Date:: Sat May 09 00:00:00 EDT 2020

Other Number(s):: mp-15391

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; Na4TeO5; Na-O-Te

OSTI Identifier:: 1191152

DOI:: https://doi.org/10.17188/1191152

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                    The Materials Project. Materials Data on Na4TeO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191152.

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                    The Materials Project. Materials Data on Na4TeO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191152

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                    The Materials Project. 2020.  
"Materials Data on Na4TeO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191152.  https://www.osti.gov/servlets/purl/1191152. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1191152,

  title        = {Materials Data on Na4TeO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na4TeO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.09–2.54 Å. In the second Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.10–2.44 Å. In the third Na1+ site, Na1+ is bonded in a 12-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.54 Å. In the fourth Na1+ site, Na1+ is bonded in a 12-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.77–2.99 Å. In the fifth Na1+ site, Na1+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.47–2.79 Å. Te6+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.83–2.44 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Na1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ and one Te6+ atom.},

  doi          = {10.17188/1191152},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 09 00:00:00 EDT 2020},

  month        = {Sat May 09 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1191152

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