Materials Data on Al2O3 by Materials Project

Kristin Persson
Al2O3 is Corundum-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Al–O bond lengths are 1.93 Å. In the second Al3+ site, Al3+ is bonded to six equivalent O2- atoms to form a...
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