Materials Data on Sr(InAu)2 by Materials Project

Abstract

Sr(AuIn)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to seven Au and four In atoms. There are a spread of Sr–Au bond distances ranging from 3.25–3.58 Å. There are a spread of Sr–In bond distances ranging from 3.59–3.63 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to four equivalent Sr and five In atoms. There are a spread of Au–In bond distances ranging from 2.78–2.95 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to three equivalent Sr, two equivalent Au, and four In atoms. Both Au–Au bond lengths are 2.90 Å. There are a spread of Au–In bond distances ranging from 2.76–2.89 Å. There are two inequivalent In sites. In the first In site, In is bonded to two equivalent Sr and four Au atoms to form a mixture of distorted corner and edge-sharing InSr2Au4 tetrahedra. In the second In site, In is bonded in a 5-coordinate geometry to two equivalent Sr and five Au atoms.