Materials Data on Na6Cd16Au7 by Materials Project

Abstract

Na6Au7Cd16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a 12-coordinate geometry to four equivalent Au and eight Cd atoms. All Na–Au bond lengths are 3.51 Å. There are four shorter (3.23 Å) and four longer (3.34 Å) Na–Cd bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded to four equivalent Na and eight Cd atoms to form a mixture of distorted face and corner-sharing AuNa4Cd8 cuboctahedra. There are four shorter (2.83 Å) and four longer (3.04 Å) Au–Cd bond lengths. In the second Au site, Au is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Au–Cd bond lengths are 2.86 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 3-coordinate geometry to three equivalent Na and three equivalent Au atoms. In the second Cd site, Cd is bonded in a 4-coordinate geometry to three equivalent Na and four Au atoms.