Materials Data on Y2TeO6 by Materials Project

doi:10.17188/1192317

Title: Materials Data on Y2TeO6 by Materials Project

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Abstract

Y2TeO6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 hexagonal pyramids that share corners with three equivalent TeO6 octahedra, edges with two equivalent YO7 hexagonal pyramids, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 40–46°. There are a spread of Y–O bond distances ranging from 2.28–2.52 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 2.25–2.63 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with three equivalent YO7 hexagonal pyramids and edges with two equivalent YO7 hexagonal pyramids. There are a spread of Te–O bond distances ranging from 1.92–1.98 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Y3+ and one Te6+ atom. In the second O2- site, O2- is bonded to three Y3+ and one Te6+ atom to form distorted corner-sharing OY3Te tetrahedra. In the third O2- site, O2-more »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-17066

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:: 1192317

DOI:: https://doi.org/10.17188/1192317

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                    The Materials Project. Materials Data on Y2TeO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192317.

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                    The Materials Project. Materials Data on Y2TeO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192317

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                    The Materials Project. 2020.  
"Materials Data on Y2TeO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192317.  https://www.osti.gov/servlets/purl/1192317. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1192317,

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

  author       = {The Materials Project},

  abstractNote = {Y2TeO6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 hexagonal pyramids that share corners with three equivalent TeO6 octahedra, edges with two equivalent YO7 hexagonal pyramids, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 40–46°. There are a spread of Y–O bond distances ranging from 2.28–2.52 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 2.25–2.63 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with three equivalent YO7 hexagonal pyramids and edges with two equivalent YO7 hexagonal pyramids. There are a spread of Te–O bond distances ranging from 1.92–1.98 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Y3+ and one Te6+ atom. In the second O2- site, O2- is bonded to three Y3+ and one Te6+ atom to form distorted corner-sharing OY3Te tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Y3+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Y3+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Y3+ and one Te6+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Y3+ and one Te6+ atom.},

  doi          = {10.17188/1192317},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1192317

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