Materials Data on K3InAu5 by Materials Project

Abstract

K3Au5In crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 2-coordinate geometry to ten Au1- atoms. There are a spread of K–Au bond distances ranging from 3.37–3.76 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent Au1- atoms. There are four shorter (3.61 Å) and two longer (3.63 Å) K–Au bond lengths. There are three inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to six equivalent K1+ and six Au1- atoms to form a mixture of edge and face-sharing AuK6Au6 cuboctahedra. There are four shorter (2.88 Å) and two longer (2.92 Å) Au–Au bond lengths. In the second Au1- site, Au1- is bonded in a 10-coordinate geometry to four equivalent K1+ and six Au1- atoms. There are two shorter (2.84 Å) and two longer (2.85 Å) Au–Au bond lengths. In the third Au1- site, Au1- is bonded in a 1-coordinate geometry to six K1+, three Au1-, and one In2+ atom. The Au–In bond length is 2.71 Å. In2+ is bonded in a water-like geometry to two equivalent Au1- atoms.