Materials Data on Sr(SnAu)2 by Materials Project

Abstract

Sr(AuSn)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 Sn atoms. There are four shorter (3.63 Å) and four longer (3.66 Å) Sr–Au bond lengths. There are four shorter (3.62 Å) and four longer (3.80 Å) Sr–Sn bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 4-coordinate geometry to four equivalent Sr and four equivalent Sn atoms. All Au–Sn bond lengths are 2.80 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to four equivalent Sr and five Sn atoms. There are one shorter (2.67 Å) and four longer (2.85 Å) Au–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Sr and four equivalent Au atoms to form a mixture of distorted face and edge-sharing SnSr4Au4 tetrahedra. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Sr and five Au atoms.