Materials Data on NdSbAu by Materials Project

Abstract

NdAuSb crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded to six equivalent Sb2- atoms to form distorted edge-sharing NdSb6 octahedra. All Nd–Sb bond lengths are 3.26 Å. In the second Nd3+ site, Nd3+ is bonded in a 12-coordinate geometry to six equivalent Au1- and six equivalent Sb2- atoms. There are four shorter (3.08 Å) and two longer (3.09 Å) Nd–Au bond lengths. All Nd–Sb bond lengths are 3.54 Å. Au1- is bonded in a 6-coordinate geometry to three equivalent Nd3+ and three equivalent Sb2- atoms. There are two shorter (2.81 Å) and one longer (2.82 Å) Au–Sb bond lengths. Sb2- is bonded in a 6-coordinate geometry to six Nd3+ and three equivalent Au1- atoms.