Materials Data on NdSm3 by Materials Project

Abstract

Sm3Nd is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to eight equivalent Sm and four equivalent Nd atoms to form SmNd4Sm8 cuboctahedra that share corners with four equivalent NdSm12 cuboctahedra, corners with fourteen equivalent SmNd4Sm8 cuboctahedra, edges with six equivalent NdSm12 cuboctahedra, edges with twelve equivalent SmNd4Sm8 cuboctahedra, faces with four equivalent NdSm12 cuboctahedra, and faces with sixteen equivalent SmNd4Sm8 cuboctahedra. There are two shorter (3.65 Å) and six longer (3.66 Å) Sm–Sm bond lengths. All Sm–Nd bond lengths are 3.66 Å. Nd is bonded to twelve equivalent Sm atoms to form NdSm12 cuboctahedra that share corners with six equivalent NdSm12 cuboctahedra, corners with twelve equivalent SmNd4Sm8 cuboctahedra, edges with eighteen equivalent SmNd4Sm8 cuboctahedra, faces with eight equivalent NdSm12 cuboctahedra, and faces with twelve equivalent SmNd4Sm8 cuboctahedra.