Materials Data on NdSbPd by Materials Project

Abstract

NdPdSb crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to eight equivalent Pd and four equivalent Sb atoms to form a mixture of edge and face-sharing NdSb4Pd8 cuboctahedra. There are four shorter (3.27 Å) and four longer (3.39 Å) Nd–Pd bond lengths. There are two shorter (3.28 Å) and two longer (3.34 Å) Nd–Sb bond lengths. In the second Nd site, Nd is bonded to four equivalent Pd and eight equivalent Sb atoms to form a mixture of edge and face-sharing NdSb8Pd4 cuboctahedra. There are two shorter (3.37 Å) and two longer (3.42 Å) Nd–Pd bond lengths. There are four shorter (3.35 Å) and four longer (3.39 Å) Nd–Sb bond lengths. Pd is bonded in a 9-coordinate geometry to six Nd, one Pd, and two equivalent Sb atoms. The Pd–Pd bond length is 2.73 Å. Both Pd–Sb bond lengths are 2.61 Å. Sb is bonded in a 9-coordinate geometry to six Nd, two equivalent Pd, and one Sb atom. The Sb–Sb bond length is 2.91 Å.