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Title: Materials Data on InGaO3 by Materials Project

Abstract

InGaO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent GaO5 trigonal bipyramids and edges with six equivalent InO6 octahedra. All In–O bond lengths are 2.22 Å. Ga3+ is bonded to five O2- atoms to form GaO5 trigonal bipyramids that share corners with six equivalent InO6 octahedra and corners with six equivalent GaO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 61°. There is three shorter (1.94 Å) and two longer (1.99 Å) Ga–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ga3+ atoms. In the second O2- site, O2- is bonded to three equivalent In3+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing OIn3Ga tetrahedra.

Publication Date:
Other Number(s):
mp-8098
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; InGaO3; Ga-In-O
OSTI Identifier:
1282203
DOI:
10.17188/1282203

Citation Formats

The Materials Project. Materials Data on InGaO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282203.
The Materials Project. Materials Data on InGaO3 by Materials Project. United States. doi:10.17188/1282203.
The Materials Project. 2020. "Materials Data on InGaO3 by Materials Project". United States. doi:10.17188/1282203. https://www.osti.gov/servlets/purl/1282203. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1282203,
title = {Materials Data on InGaO3 by Materials Project},
author = {The Materials Project},
abstractNote = {InGaO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent GaO5 trigonal bipyramids and edges with six equivalent InO6 octahedra. All In–O bond lengths are 2.22 Å. Ga3+ is bonded to five O2- atoms to form GaO5 trigonal bipyramids that share corners with six equivalent InO6 octahedra and corners with six equivalent GaO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 61°. There is three shorter (1.94 Å) and two longer (1.99 Å) Ga–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ga3+ atoms. In the second O2- site, O2- is bonded to three equivalent In3+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing OIn3Ga tetrahedra.},
doi = {10.17188/1282203},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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