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DOE OSTI · 1723096

Materials Data on In2O3 by Materials Project

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Abstract

In2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. In3+ is bonded to six O2- atoms to form a mixture of distorted corner, edge, and face-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 51–72°. There are a spread of In–O bond distances ranging from 2.16–2.33 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent In3+ atoms to form a mixture of distorted corner and edge-sharing OIn4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent In3+ atoms to form a mixture of distorted corner and edge-sharing OIn4 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureIn-OIn2O3

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2020-05-03. Materials Data on In2O3 by Materials Project. https://doi.org/10.17188/1723096

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