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DOE OSTI · 1198812

Materials Data on In2O3 by Materials Project

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Abstract

In2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of In–O bond distances ranging from 2.17–2.26 Å. In the second In3+ site, In3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All In–O bond lengths are 2.21 Å. O2- is bonded to four In3+ atoms to form a mixture of distorted edge and corner-sharing OIn4 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureIn-OIn2O3

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2020-07-23. Materials Data on In2O3 by Materials Project. https://doi.org/10.17188/1198812

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