Materials Data on KNa5TeO6 by Materials Project

doi:10.17188/1711635

Title: Materials Data on KNa5TeO6 by Materials Project

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Abstract

KNa5TeO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.75–2.79 Å. There are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.33 Å. In the second Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.32 Å) and two longer (2.34 Å) Na–O bond lengths. In the third Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.36 Å) and two longer (2.40 Å) Na–O bond lengths. In the fourth Na1+ site, Na1+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.33 Å) and two longer (2.34 Å) Na–O bond lengths. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.98–2.02 Å. There are three inequivalent O2- sites. In the first O2-more »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1223392

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; KNa5TeO6; K-Na-O-Te

OSTI Identifier:: 1711635

DOI:: https://doi.org/10.17188/1711635

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                    The Materials Project. Materials Data on KNa5TeO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711635.

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                    The Materials Project. Materials Data on KNa5TeO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711635

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                    The Materials Project. 2020.  
"Materials Data on KNa5TeO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711635.  https://www.osti.gov/servlets/purl/1711635. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1711635,

  title        = {Materials Data on KNa5TeO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KNa5TeO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.75–2.79 Å. There are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.33 Å. In the second Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.32 Å) and two longer (2.34 Å) Na–O bond lengths. In the third Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.36 Å) and two longer (2.40 Å) Na–O bond lengths. In the fourth Na1+ site, Na1+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.33 Å) and two longer (2.34 Å) Na–O bond lengths. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.98–2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one K1+, four Na1+, and one Te6+ atom to form distorted OKNa4Te octahedra that share corners with five equivalent OKNa4Te octahedra, edges with three equivalent OKNa3Te square pyramids, and a faceface with one OKNa3Te square pyramid. The corner-sharing octahedra tilt angles range from 0–50°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one K1+, three Na1+, and one Te6+ atom. In the third O2- site, O2- is bonded to one K1+, three Na1+, and one Te6+ atom to form distorted OKNa3Te square pyramids that share corners with four equivalent OKNa3Te square pyramids, edges with three equivalent OKNa4Te octahedra, and a faceface with one OKNa4Te octahedra.},

  doi          = {10.17188/1711635},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1711635

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