Materials Data on Au2Se2O7 by Materials Project

Abstract

Au2Se2O7 crystallizes in the orthorhombic Pba2 space group. The structure is two-dimensional and consists of one Au2Se2O7 sheet oriented in the (1, 0, 0) direction. Au5+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Au–O bond distances ranging from 1.99–2.08 Å. Se2+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.74–1.76 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Au5+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Au5+ and one Se2+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Au5+ and one Se2+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Au5+ and one Se2+ atom.