Materials Data on NaVTeO5 by Materials Project

doi:10.17188/1193599

Title: Materials Data on NaVTeO5 by Materials Project

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Abstract

NaVTeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.42–2.86 Å. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.67–1.85 Å. Te4+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.94–2.77 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one V5+, and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one V5+, and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one V5+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-18897

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; NaVTeO5; Na-O-Te-V

OSTI Identifier:: 1193599

DOI:: https://doi.org/10.17188/1193599

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                    The Materials Project. Materials Data on NaVTeO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193599.

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                    The Materials Project. Materials Data on NaVTeO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193599

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                    The Materials Project. 2020.  
"Materials Data on NaVTeO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193599.  https://www.osti.gov/servlets/purl/1193599. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1193599,

  title        = {Materials Data on NaVTeO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaVTeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.42–2.86 Å. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.67–1.85 Å. Te4+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.94–2.77 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one V5+, and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one V5+, and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one V5+ atom.},

  doi          = {10.17188/1193599},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1193599

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