Materials Data on Na2Te4O9 by Materials Project

doi:10.17188/1202978

Title: Materials Data on Na2Te4O9 by Materials Project

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Abstract

Na2Te4O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.06–2.59 Å. In the second Na1+ site, Na1+ is bonded in a 2-coordinate geometry to two O2- atoms. There is one shorter (1.75 Å) and one longer (2.24 Å) Na–O bond length. There are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 2.11–2.94 Å. In the second Te4+ site, Te4+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.50–2.63 Å. In the third Te4+ site, Te4+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.44–2.71 Å. In the fourth Te4+ site, Te4+ is bonded in a distorted single-bond geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.45–2.37 Å. There are nine inequivalent O2-more »« less

Authors:: The Materials Project

Publication Date:: Mon Feb 24 00:00:00 EST 2014

Other Number(s):: mp-28904

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; Na2Te4O9; Na-O-Te

OSTI Identifier:: 1202978

DOI:: https://doi.org/10.17188/1202978

Citation Formats


                    The Materials Project. Materials Data on Na2Te4O9 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1202978.

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                    The Materials Project. Materials Data on Na2Te4O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202978

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                    The Materials Project. 2014.  
"Materials Data on Na2Te4O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202978.  https://www.osti.gov/servlets/purl/1202978. Pub date:Mon Feb 24 00:00:00 EST 2014

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@article{osti_1202978,

  title        = {Materials Data on Na2Te4O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2Te4O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.06–2.59 Å. In the second Na1+ site, Na1+ is bonded in a 2-coordinate geometry to two O2- atoms. There is one shorter (1.75 Å) and one longer (2.24 Å) Na–O bond length. There are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 2.11–2.94 Å. In the second Te4+ site, Te4+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.50–2.63 Å. In the third Te4+ site, Te4+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.44–2.71 Å. In the fourth Te4+ site, Te4+ is bonded in a distorted single-bond geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.45–2.37 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two Te4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Te4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and two Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one Te4+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Te4+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and one Te4+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to one Te4+ atom.},

  doi          = {10.17188/1202978},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Feb 24 00:00:00 EST 2014},

  month        = {Mon Feb 24 00:00:00 EST 2014}

}

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DOI: https://doi.org/10.17188/1202978

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