Materials Data on K(SnAu)3 by Materials Project

Abstract

K(AuSn)3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. K is bonded in a 10-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (3.47 Å) and four longer (3.62 Å) K–Au bond lengths. All K–Sn bond lengths are 3.59 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 1-coordinate geometry to three equivalent K, three equivalent Au, and four Sn atoms. There are two shorter (2.92 Å) and one longer (3.30 Å) Au–Au bond lengths. There are a spread of Au–Sn bond distances ranging from 2.81–2.93 Å. In the second Au site, Au is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Au–Sn bond distances ranging from 2.91–2.98 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent K and four Au atoms. In the second Sn site, Sn is bonded to seven Au atoms to form distorted edge-sharing SnAu7 hexagonal pyramids.