DOE OSTI2020
Dy3Sm is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to eight Dy and four equivalent Sm atoms to form DySm4Dy8 cuboctahedra that share corners with four equivalent SmDy12 cuboctahedra, corners with fourteen DySm4Dy8 cuboctahedra, edges with six equivalent SmDy12 cuboctahedra, edges with twelve DySm4Dy8 cuboctahedra, faces with four equivalent SmDy12 cuboctahedra, and faces with sixteen DySm4Dy8 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.53–3.65 Å. There are two shorter (3.54 Å) and two longer (3.63 Å) Dy–Sm bond lengths. In the second Dy site, Dy is bonded to eight equivalent Dy and four equivalent Sm atoms to form DySm4Dy8 cuboctahedra that share corners with four equivalent SmDy12 cuboctahedra, corners with fourteen DySm4Dy8 cuboctahedra, edges with six equivalent SmDy12 cuboctahedra, edges with twelve equivalent DySm4Dy8 cuboctahedra, faces with four equivalent SmDy12 cuboctahedra, and faces with sixteen DySm4Dy8 cuboctahedra. There are two shorter (3.54 Å) and two longer (3.63 Å) Dy–Sm bond lengths. Sm is bonded to twelve Dy atoms to form SmDy12 cuboctahedra that share corners with six equivalent SmDy12 cuboctahedra, corners with twelve DySm4Dy8 cuboctahedra, edges with eighteen DySm4Dy8 cuboctahedra, faces with eight equivalent SmDy12 cuboctahedra, and faces with twelve DySm4Dy8 cuboctahedra.