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Title: Materials Data on Y2O3 by Materials Project

Abstract

Y2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of distorted face, edge, and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 48–66°. There are a spread of Y–O bond distances ranging from 2.24–2.40 Å. In the second Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of distorted face, edge, and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 48–72°. There are a spread of Y–O bond distances ranging from 2.26–2.38 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing OY4 tetrahedra. In the second O2- site, O2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing OY4 trigonal pyramids. In the third O2- site, O2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing OY4 trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-775906
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; Y2O3; O-Y
OSTI Identifier:
1303778
DOI:
https://doi.org/10.17188/1303778

Citation Formats

The Materials Project. Materials Data on Y2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1303778.
The Materials Project. Materials Data on Y2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1303778
The Materials Project. 2020. "Materials Data on Y2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1303778. https://www.osti.gov/servlets/purl/1303778. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1303778,
title = {Materials Data on Y2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of distorted face, edge, and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 48–66°. There are a spread of Y–O bond distances ranging from 2.24–2.40 Å. In the second Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of distorted face, edge, and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 48–72°. There are a spread of Y–O bond distances ranging from 2.26–2.38 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing OY4 tetrahedra. In the second O2- site, O2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing OY4 trigonal pyramids. In the third O2- site, O2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing OY4 trigonal pyramids.},
doi = {10.17188/1303778},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}