Materials Data on Y2TeO6 by Materials Project

doi:10.17188/1290052

Title: Materials Data on Y2TeO6 by Materials Project

Dataset
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Abstract

Y2TeO6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form YO6 octahedra that share corners with four equivalent YO6 octahedra, corners with four equivalent TeO6 octahedra, an edgeedge with one YO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–61°. There are a spread of Y–O bond distances ranging from 2.26–2.31 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with eight equivalent YO6 octahedra and edges with two equivalent YO6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. All Te–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Te6+ atom.

Publication Date:: 2020-04-30

Other Number(s):: mp-755549

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; O-Te-Y; Y2TeO6; crystal structure

OSTI Identifier:: 1290052

DOI:: https://doi.org/10.17188/1290052

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                    Materials Data on Y2TeO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290052.

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                    Materials Data on Y2TeO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290052

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                    2020.  
"Materials Data on Y2TeO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290052.  https://www.osti.gov/servlets/purl/1290052. Pub date:Thu Apr 30 04:00:00 UTC 2020

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@article{osti_1290052,

  title        = {Materials Data on Y2TeO6 by Materials Project},

  
  abstractNote = {Y2TeO6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form YO6 octahedra that share corners with four equivalent YO6 octahedra, corners with four equivalent TeO6 octahedra, an edgeedge with one YO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–61°. There are a spread of Y–O bond distances ranging from 2.26–2.31 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with eight equivalent YO6 octahedra and edges with two equivalent YO6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. All Te–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Te6+ atom.},

  doi          = {10.17188/1290052},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1290052

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