Materials Data on Na2Cu2TeO6 by Materials Project

doi:10.17188/1267491

Title: Materials Data on Na2Cu2TeO6 by Materials Project

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Abstract

Na2Cu2TeO6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with two equivalent TeO6 octahedra, edges with two equivalent TeO6 octahedra, and edges with three equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are a spread of Na–O bond distances ranging from 2.32–2.53 Å. Cu2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.99–2.65 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with four equivalent NaO6 octahedra and edges with four equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There is four shorter (1.95 Å) and two longer (2.03 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+, two equivalent Cu2+, and one Te6+ atom to form a mixture of distorted edge and corner-sharing ONa2Cu2Te trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Na1+, two equivalent Cu2+, and one Te6+ atom to form a mixture of distorted edge and corner-sharing ONa2Cu2Temore » square pyramids.« less

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-551283

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; Na2Cu2TeO6; Cu-Na-O-Te

OSTI Identifier:: 1267491

DOI:: https://doi.org/10.17188/1267491

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                    The Materials Project. Materials Data on Na2Cu2TeO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267491.

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                    The Materials Project. Materials Data on Na2Cu2TeO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267491

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                    The Materials Project. 2020.  
"Materials Data on Na2Cu2TeO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267491.  https://www.osti.gov/servlets/purl/1267491. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1267491,

  title        = {Materials Data on Na2Cu2TeO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2Cu2TeO6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with two equivalent TeO6 octahedra, edges with two equivalent TeO6 octahedra, and edges with three equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are a spread of Na–O bond distances ranging from 2.32–2.53 Å. Cu2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.99–2.65 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with four equivalent NaO6 octahedra and edges with four equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There is four shorter (1.95 Å) and two longer (2.03 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+, two equivalent Cu2+, and one Te6+ atom to form a mixture of distorted edge and corner-sharing ONa2Cu2Te trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Na1+, two equivalent Cu2+, and one Te6+ atom to form a mixture of distorted edge and corner-sharing ONa2Cu2Te square pyramids.},

  doi          = {10.17188/1267491},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1267491

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