Materials Data on Y2TeO6 by Materials Project

doi:10.17188/1300391

Title: Materials Data on Y2TeO6 by Materials Project

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Abstract

Y2TeO6 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.30–2.57 Å. In the second Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.21–2.54 Å. In the third Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.31–2.56 Å. Te6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.04 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to three Y3+ and one Te6+ atom to form a mixture of distorted corner and edge-sharing OY3Te tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Y3+ and one Te6+ atom. In the third O2- site, O2- is bonded to three Y3+ and one Te6+ atom to form distorted corner-sharing OY3Te tetrahedra.more »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-771238

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; Y2TeO6; O-Te-Y

OSTI Identifier:: 1300391

DOI:: https://doi.org/10.17188/1300391

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                    The Materials Project. Materials Data on Y2TeO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1300391.

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                    The Materials Project. Materials Data on Y2TeO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1300391

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                    The Materials Project. 2020.  
"Materials Data on Y2TeO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1300391.  https://www.osti.gov/servlets/purl/1300391. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1300391,

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

  author       = {The Materials Project},

  abstractNote = {Y2TeO6 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.30–2.57 Å. In the second Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.21–2.54 Å. In the third Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.31–2.56 Å. Te6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.04 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to three Y3+ and one Te6+ atom to form a mixture of distorted corner and edge-sharing OY3Te tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Y3+ and one Te6+ atom. In the third O2- site, O2- is bonded to three Y3+ and one Te6+ atom to form distorted corner-sharing OY3Te tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Y3+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Y3+ and one Te6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Y3+ and one Te6+ atom.},

  doi          = {10.17188/1300391},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1300391

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