Materials Data on K(Sn3Au2)2 by Materials Project

Abstract

K(Au2Sn3)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to eight Au and six Sn atoms. There are four shorter (3.68 Å) and four longer (3.73 Å) K–Au bond lengths. There are four shorter (3.62 Å) and two longer (3.64 Å) K–Sn bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to two equivalent K, one Au, and six Sn atoms. The Au–Au bond length is 2.96 Å. There are two shorter (2.84 Å) and four longer (2.93 Å) Au–Sn bond lengths. In the second Au site, Au is bonded in a 9-coordinate geometry to two equivalent K, one Au, and six Sn atoms. There are a spread of Au–Sn bond distances ranging from 2.85–2.91 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to one K and four Au atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to one K, four Au, and one Sn atom. The Sn–Sn bond length is 2.99 Å.