Materials Data on Na2Zn2(TeO3)3 by Materials Project

doi:10.17188/1281783

Title: Materials Data on Na2Zn2(TeO3)3 by Materials Project

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Abstract

Na2Zn2(TeO3)3 crystallizes in the hexagonal P6_3/m space group. The structure is two-dimensional and consists of two Na2Zn2(TeO3)3 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Na–O bond lengths are 2.32 Å. Zn2+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Zn–O bond lengths are 1.90 Å. Te4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.85 Å) and two longer (1.92 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Te4+ atom.

Publication Date:: Wed Jul 22 04:00:00 UTC 2020

Other Number(s):: mp-672223

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Na-O-Te-Zn; Na2Zn2(TeO3)3; crystal structure

OSTI Identifier:: 1281783

DOI:: https://doi.org/10.17188/1281783

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                    Materials Data on Na2Zn2(TeO3)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281783.

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                    Materials Data on Na2Zn2(TeO3)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281783

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                    2020.  
"Materials Data on Na2Zn2(TeO3)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281783.  https://www.osti.gov/servlets/purl/1281783. Pub date:Wed Jul 22 04:00:00 UTC 2020

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@article{osti_1281783,

  title        = {Materials Data on Na2Zn2(TeO3)3 by Materials Project},

  
  abstractNote = {Na2Zn2(TeO3)3 crystallizes in the hexagonal P6_3/m space group. The structure is two-dimensional and consists of two Na2Zn2(TeO3)3 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Na–O bond lengths are 2.32 Å. Zn2+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Zn–O bond lengths are 1.90 Å. Te4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.85 Å) and two longer (1.92 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Te4+ atom.},

  doi          = {10.17188/1281783},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 04:00:00 UTC 2020},

  month        = {Wed Jul 22 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1281783

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