Materials Data on KNa2AuO2 by Materials Project

Abstract

KNa2AuO2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. K1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All K–O bond lengths are 2.85 Å. Na1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. There are one shorter (2.28 Å) and two longer (2.34 Å) Na–O bond lengths. Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.04 Å. O2- is bonded to two equivalent K1+, three equivalent Na1+, and one Au1+ atom to form a mixture of distorted corner and edge-sharing OK2Na3Au octahedra. The corner-sharing octahedra tilt angles range from 0–60°.