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DOE OSTI2020

Materials Data on Au2O3 by Materials Project

Au2O3 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Au3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Au–O bond distances ranging from 1.99–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Au3+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Au3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Au3O by Materials Project

Au3O crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two Au3O ribbons oriented in the (0, 0, 1) direction. Au+0.67+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.40 Å. O2- is bonded to six equivalent Au+0.67+ atoms to form distorted face-sharing OAu6 pentagonal pyramids.

36 MATERIALS SCIENCE↗