Materials Data on Sr(GaAu)2 by Materials Project

Abstract

Sr(AuGa)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to eight Au and eight Ga atoms. There are four shorter (3.47 Å) and four longer (3.51 Å) Sr–Au bond lengths. There are four shorter (3.48 Å) and four longer (3.52 Å) Sr–Ga bond lengths. 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 Ga atoms. There are one shorter (2.61 Å) and four longer (2.67 Å) Au–Ga bond lengths. In the second Au site, Au is bonded in a 4-coordinate geometry to four equivalent Sr and four equivalent Ga atoms. All Au–Ga bond lengths are 2.65 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 5-coordinate geometry to four equivalent Sr and five Au atoms. In the second Ga site, Ga is bonded to four equivalent Sr and four equivalent Au atoms to form a mixture of distorted edge and face-sharing GaSr4Au4 tetrahedra.