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.