Materials Data on Eu3AuO6 by Materials Project

Abstract

Eu3AuO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.31–2.62 Å. In the second Eu3+ site, Eu3+ is bonded to six O2- atoms to form distorted edge-sharing EuO6 octahedra. There are four shorter (2.37 Å) and two longer (2.38 Å) Eu–O bond lengths. Au3+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.02 Å) and two longer (2.04 Å) Au–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Eu3+ and one Au3+ atom to form a mixture of distorted edge and corner-sharing OEu3Au trigonal pyramids. In the second O2- site, O2- is bonded to three Eu3+ and one Au3+ atom to form OEu3Au tetrahedra that share corners with eight OEu3Au tetrahedra, corners with four equivalent OEu3Au trigonal pyramids, edges with two equivalent OEu4 tetrahedra, and edges with two equivalent OEu3Au trigonal pyramids. In the third O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra.