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Title: Materials Data on Y3Ga5O12 by Materials Project

Abstract

Y3Ga5O12 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 (2.36 Å) and four longer (2.46 Å) Y–O bond lengths. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent O2- atoms to form corner-sharing GaO4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. All Ga–O bond lengths are 1.87 Å. In the second Ga3+ site, Ga3+ is bonded to six equivalent O2- atoms to form corner-sharing GaO6 octahedra. All Ga–O bond lengths are 2.02 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two Ga3+ atoms.

Publication Date:
Other Number(s):
mp-5444
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; Y3Ga5O12; Ga-O-Y
OSTI Identifier:
1266980
DOI:
https://doi.org/10.17188/1266980

Citation Formats

The Materials Project. Materials Data on Y3Ga5O12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266980.
The Materials Project. Materials Data on Y3Ga5O12 by Materials Project. United States. doi:https://doi.org/10.17188/1266980
The Materials Project. 2020. "Materials Data on Y3Ga5O12 by Materials Project". United States. doi:https://doi.org/10.17188/1266980. https://www.osti.gov/servlets/purl/1266980. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1266980,
title = {Materials Data on Y3Ga5O12 by Materials Project},
author = {The Materials Project},
abstractNote = {Y3Ga5O12 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 (2.36 Å) and four longer (2.46 Å) Y–O bond lengths. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent O2- atoms to form corner-sharing GaO4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. All Ga–O bond lengths are 1.87 Å. In the second Ga3+ site, Ga3+ is bonded to six equivalent O2- atoms to form corner-sharing GaO6 octahedra. All Ga–O bond lengths are 2.02 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two Ga3+ atoms.},
doi = {10.17188/1266980},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}