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Title: Materials Data on YbGaO3 by Materials Project

Abstract

YbGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.31–2.62 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 30–34°. There are a spread of Ga–O bond distances ranging from 1.94–2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Yb3+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Ga3+ atoms to form distorted corner-sharing OYb2Ga2 tetrahedra.

Publication Date:
Other Number(s):
mp-1207537
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; YbGaO3; Ga-O-Yb
OSTI Identifier:
1759256
DOI:
https://doi.org/10.17188/1759256

Citation Formats

The Materials Project. Materials Data on YbGaO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759256.
The Materials Project. Materials Data on YbGaO3 by Materials Project. United States. doi:https://doi.org/10.17188/1759256
The Materials Project. 2020. "Materials Data on YbGaO3 by Materials Project". United States. doi:https://doi.org/10.17188/1759256. https://www.osti.gov/servlets/purl/1759256. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759256,
title = {Materials Data on YbGaO3 by Materials Project},
author = {The Materials Project},
abstractNote = {YbGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.31–2.62 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 30–34°. There are a spread of Ga–O bond distances ranging from 1.94–2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Yb3+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Ga3+ atoms to form distorted corner-sharing OYb2Ga2 tetrahedra.},
doi = {10.17188/1759256},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}