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Title: Materials Data on Y3Al5O12 by Materials Project

Abstract

Y3Al5O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Y3+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.33 Å) and four longer (2.47 Å) Y–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 49°. 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 1.94 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two Al3+ atoms.

Publication Date:
Other Number(s):
mp-3050
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; Y3Al5O12; Al-O-Y
OSTI Identifier:
1204905
DOI:
https://doi.org/10.17188/1204905

Citation Formats

The Materials Project. Materials Data on Y3Al5O12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204905.
The Materials Project. Materials Data on Y3Al5O12 by Materials Project. United States. doi:https://doi.org/10.17188/1204905
The Materials Project. 2020. "Materials Data on Y3Al5O12 by Materials Project". United States. doi:https://doi.org/10.17188/1204905. https://www.osti.gov/servlets/purl/1204905. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1204905,
title = {Materials Data on Y3Al5O12 by Materials Project},
author = {The Materials Project},
abstractNote = {Y3Al5O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Y3+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.33 Å) and four longer (2.47 Å) Y–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 49°. 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 1.94 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two Al3+ atoms.},
doi = {10.17188/1204905},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}