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Title: Materials Data on Y2TeO6 by Materials Project

Abstract

Y2TeO6 crystallizes in the monoclinic C2/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 2.21–2.74 Å. In the second 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 2.22–2.83 Å. In the third Y3+ site, Y3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.35–2.43 Å. Te6+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.02 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to three Y3+ and one Te6+ atom to form OY3Te tetrahedra that share corners with six OY3Te tetrahedra and an edgeedge with one OY4 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Y3+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 3-coordinatemore » geometry to two equivalent Y3+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Y3+ and one Te6+ atom. In the sixth O2- site, O2- is bonded to four Y3+ atoms to form a mixture of corner and edge-sharing OY4 tetrahedra.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-768519
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Y2TeO6; O-Te-Y
OSTI Identifier:
1298448
DOI:
10.17188/1298448

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Y2TeO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298448.
Persson, Kristin, & Project, Materials. Materials Data on Y2TeO6 by Materials Project. United States. doi:10.17188/1298448.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Y2TeO6 by Materials Project". United States. doi:10.17188/1298448. https://www.osti.gov/servlets/purl/1298448. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1298448,
title = {Materials Data on Y2TeO6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Y2TeO6 crystallizes in the monoclinic C2/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 2.21–2.74 Å. In the second 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 2.22–2.83 Å. In the third Y3+ site, Y3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.35–2.43 Å. Te6+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.02 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to three Y3+ and one Te6+ atom to form OY3Te tetrahedra that share corners with six OY3Te tetrahedra and an edgeedge with one OY4 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Y3+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Y3+ and one Te6+ atom. In the sixth O2- site, O2- is bonded to four Y3+ atoms to form a mixture of corner and edge-sharing OY4 tetrahedra.},
doi = {10.17188/1298448},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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