Materials Data on KAu2 by Materials Project

Abstract

KAu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to twelve Au atoms. There are a spread of K–Au bond distances ranging from 3.38–3.52 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded to six equivalent K and six equivalent Au atoms to form a mixture of distorted corner, edge, and face-sharing AuK6Au6 cuboctahedra. All Au–Au bond lengths are 3.00 Å. In the second Au site, Au is bonded to six equivalent K and six Au atoms to form a mixture of corner, edge, and face-sharing AuK6Au6 cuboctahedra. There are two shorter (2.88 Å) and two longer (2.89 Å) Au–Au bond lengths.