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Title: Materials Data on Yb2TeO6 by Materials Project

Abstract

Yb2TeO6 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.36–2.58 Å. In the second Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.31–2.82 Å. In the third Yb3+ site, Yb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Yb–O bond distances ranging from 2.25–2.66 Å. In the fourth Yb3+ site, Yb3+ is bonded in a 4-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.20–2.73 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded in a distorted octahedral geometry to six O2- atoms. All Te–O bond lengths are 1.95 Å. In the second Te6+ site, Te6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.39 Å. There are nine inequivalent O2- sites. In the first O2- site,more » O2- is bonded in a distorted trigonal non-coplanar geometry to two Yb3+ and one Te6+ atom. In the second O2- site, O2- is bonded to three Yb3+ and one Te6+ atom to form distorted corner-sharing OYb3Te tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Yb3+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Yb3+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+, one Te6+, and one O2- atom. The O–O bond length is 1.42 Å. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Yb3+ and one Te6+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+, one Te6+, and one O2- atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Yb3+ and one Te6+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Yb3+ and one Te6+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1188075
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; Yb2TeO6; O-Te-Yb
OSTI Identifier:
1753257
DOI:
https://doi.org/10.17188/1753257

Citation Formats

The Materials Project. Materials Data on Yb2TeO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753257.
The Materials Project. Materials Data on Yb2TeO6 by Materials Project. United States. doi:https://doi.org/10.17188/1753257
The Materials Project. 2020. "Materials Data on Yb2TeO6 by Materials Project". United States. doi:https://doi.org/10.17188/1753257. https://www.osti.gov/servlets/purl/1753257. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1753257,
title = {Materials Data on Yb2TeO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb2TeO6 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.36–2.58 Å. In the second Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.31–2.82 Å. In the third Yb3+ site, Yb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Yb–O bond distances ranging from 2.25–2.66 Å. In the fourth Yb3+ site, Yb3+ is bonded in a 4-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.20–2.73 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded in a distorted octahedral geometry to six O2- atoms. All Te–O bond lengths are 1.95 Å. In the second Te6+ site, Te6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.39 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Yb3+ and one Te6+ atom. In the second O2- site, O2- is bonded to three Yb3+ and one Te6+ atom to form distorted corner-sharing OYb3Te tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Yb3+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Yb3+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+, one Te6+, and one O2- atom. The O–O bond length is 1.42 Å. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Yb3+ and one Te6+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+, one Te6+, and one O2- atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Yb3+ and one Te6+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Yb3+ and one Te6+ atom.},
doi = {10.17188/1753257},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}