Materials Data on Sm3Ho by Materials Project

Abstract

HoSm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Sm atoms to form HoSm12 cuboctahedra that share corners with six equivalent HoSm12 cuboctahedra, corners with twelve equivalent SmSm8Ho4 cuboctahedra, edges with eighteen equivalent SmSm8Ho4 cuboctahedra, faces with eight equivalent HoSm12 cuboctahedra, and faces with twelve equivalent SmSm8Ho4 cuboctahedra. There are six shorter (3.58 Å) and six longer (3.65 Å) Ho–Sm bond lengths. Sm is bonded to four equivalent Ho and eight equivalent Sm atoms to form SmSm8Ho4 cuboctahedra that share corners with four equivalent HoSm12 cuboctahedra, corners with fourteen equivalent SmSm8Ho4 cuboctahedra, edges with six equivalent HoSm12 cuboctahedra, edges with twelve equivalent SmSm8Ho4 cuboctahedra, faces with four equivalent HoSm12 cuboctahedra, and faces with sixteen equivalent SmSm8Ho4 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.58–3.65 Å.