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Title: Materials Data on Yb2O3 by Materials Project

Abstract

Yb2O3 is Corundum-like structured and crystallizes in the cubic I2_13 space group. The structure is three-dimensional. there are three inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. There are three shorter (2.30 Å) and three longer (2.31 Å) Yb–O bond lengths. In the second Yb3+ site, Yb3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 54–58°. There are a spread of Yb–O bond distances ranging from 2.28–2.34 Å. In the third Yb3+ site, Yb3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Yb–O bond distances ranging from 2.27–2.32 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Yb3+ atoms to form a mixture of edge and corner-sharing OYb4 tetrahedra. In the second O2- site, O2- is bonded to four Yb3+ atoms to form a mixture of distorted edge andmore » corner-sharing OYb4 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1196954
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; Yb2O3; O-Yb
OSTI Identifier:
1672609
DOI:
https://doi.org/10.17188/1672609

Citation Formats

The Materials Project. Materials Data on Yb2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672609.
The Materials Project. Materials Data on Yb2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1672609
The Materials Project. 2020. "Materials Data on Yb2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1672609. https://www.osti.gov/servlets/purl/1672609. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1672609,
title = {Materials Data on Yb2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb2O3 is Corundum-like structured and crystallizes in the cubic I2_13 space group. The structure is three-dimensional. there are three inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. There are three shorter (2.30 Å) and three longer (2.31 Å) Yb–O bond lengths. In the second Yb3+ site, Yb3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 54–58°. There are a spread of Yb–O bond distances ranging from 2.28–2.34 Å. In the third Yb3+ site, Yb3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Yb–O bond distances ranging from 2.27–2.32 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Yb3+ atoms to form a mixture of edge and corner-sharing OYb4 tetrahedra. In the second O2- site, O2- is bonded to four Yb3+ atoms to form a mixture of distorted edge and corner-sharing OYb4 tetrahedra.},
doi = {10.17188/1672609},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Works referenced in this record: