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Title: Materials Data on Yb3Al5O12 by Materials Project

Abstract

Yb3Al5O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Yb3+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.36 Å) and four longer (2.48 Å) Yb–O bond lengths. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent O2- atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. All Al–O bond lengths are 1.78 Å. In the second Al3+ site, Al3+ is bonded to six equivalent O2- atoms to form corner-sharing AlO6 octahedra. All Al–O bond lengths are 1.92 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Yb3+ and two Al3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3800
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; Yb3Al5O12; Al-O-Yb
OSTI Identifier:
1207452
DOI:
10.17188/1207452

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Yb3Al5O12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207452.
Persson, Kristin, & Project, Materials. Materials Data on Yb3Al5O12 by Materials Project. United States. doi:10.17188/1207452.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Yb3Al5O12 by Materials Project". United States. doi:10.17188/1207452. https://www.osti.gov/servlets/purl/1207452. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1207452,
title = {Materials Data on Yb3Al5O12 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Yb3Al5O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Yb3+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.36 Å) and four longer (2.48 Å) Yb–O bond lengths. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent O2- atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. All Al–O bond lengths are 1.78 Å. In the second Al3+ site, Al3+ is bonded to six equivalent O2- atoms to form corner-sharing AlO6 octahedra. All Al–O bond lengths are 1.92 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Yb3+ and two Al3+ atoms.},
doi = {10.17188/1207452},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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