Materials Data on K(In3Au2)2 by Materials Project

Abstract

K(Au2In3)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. K is bonded to six equivalent Au and six equivalent In atoms to form face-sharing KIn6Au6 cuboctahedra. All K–Au bond lengths are 3.70 Å. All K–In bond lengths are 3.61 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 6-coordinate geometry to two equivalent K and six In atoms. There are two shorter (2.88 Å) and four longer (2.93 Å) Au–In bond lengths. In the second Au site, Au is bonded in a 9-coordinate geometry to nine In atoms. There are three shorter (2.89 Å) and six longer (2.99 Å) Au–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to five Au atoms. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent K and four Au atoms.