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Materials Data on CuAuO2 by Materials Project

AuCuO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Au3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.04 Å. Cu1+ is bonded to six equivalent O2- atoms to form edge-sharing CuO6 octahedra. All Cu–O bond lengths are 2.03 Å. O2- is bonded to one Au3+ and three equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing OCu3Au tetrahedra.

36 MATERIALS SCIENCE↗