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DOE OSTI · 1290595

Materials Data on AlGaO3 by Materials Project

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Abstract

GaAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ga3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ga–O bond distances ranging from 1.94–2.02 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Al–O bond distances ranging from 1.88–2.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ga3+ and two equivalent Al3+ atoms to form distorted corner-sharing OAl2Ga2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ga3+ and two equivalent Al3+ atoms.

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36 MATERIALS SCIENCEAl-Ga-OAlGaO3crystal structure

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2020-05-02. Materials Data on AlGaO3 by Materials Project. https://doi.org/10.17188/1290595

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