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Title: Materials Data on Y3Sc2Al3O12 by Materials Project

Abstract

Y3Sc2Al3O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.37 Å) and four longer (2.47 Å) Y–O bond lengths. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent AlO4 tetrahedra. All Sc–O bond lengths are 2.11 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent ScO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Al–O bond lengths are 1.79 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Y3+, one Sc3+, and one Al3+ atom.

Publication Date:
Other Number(s):
mp-14678
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; Y3Sc2Al3O12; Al-O-Sc-Y
OSTI Identifier:
1190832
DOI:
https://doi.org/10.17188/1190832

Citation Formats

The Materials Project. Materials Data on Y3Sc2Al3O12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190832.
The Materials Project. Materials Data on Y3Sc2Al3O12 by Materials Project. United States. doi:https://doi.org/10.17188/1190832
The Materials Project. 2020. "Materials Data on Y3Sc2Al3O12 by Materials Project". United States. doi:https://doi.org/10.17188/1190832. https://www.osti.gov/servlets/purl/1190832. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1190832,
title = {Materials Data on Y3Sc2Al3O12 by Materials Project},
author = {The Materials Project},
abstractNote = {Y3Sc2Al3O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.37 Å) and four longer (2.47 Å) Y–O bond lengths. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent AlO4 tetrahedra. All Sc–O bond lengths are 2.11 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent ScO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Al–O bond lengths are 1.79 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Y3+, one Sc3+, and one Al3+ atom.},
doi = {10.17188/1190832},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}