Materials Data on Eu(InAu)3 by Materials Project

Abstract

EuAu3In3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to eight Au and four equivalent In atoms. There are a spread of Eu–Au bond distances ranging from 3.38–3.71 Å. All Eu–In bond lengths are 3.57 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 1-coordinate geometry to three equivalent Eu, two equivalent Au, and four In atoms. Both Au–Au bond lengths are 2.83 Å. There are one shorter (2.73 Å) and three longer (2.93 Å) Au–In bond lengths. In the second Au site, Au is bonded in a 7-coordinate geometry to two equivalent Eu and seven In atoms. There are a spread of Au–In bond distances ranging from 2.78–2.93 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 7-coordinate geometry to seven Au atoms. In the second In site, In is bonded to two equivalent Eu and four Au atoms to form a mixture of distorted corner, edge, and face-sharing InEu2Au4 tetrahedra.