Materials Data on Sm3Ho by Materials Project

Abstract

HoSm3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded to twelve Sm atoms to form HoSm12 cuboctahedra that share corners with four equivalent HoSm12 cuboctahedra, corners with eight equivalent SmSm8Ho4 cuboctahedra, edges with eight equivalent HoSm12 cuboctahedra, edges with sixteen equivalent SmSm8Ho4 cuboctahedra, faces with four equivalent HoSm12 cuboctahedra, and faces with fourteen SmSm8Ho4 cuboctahedra. All Ho–Sm bond lengths are 3.60 Å. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded to four equivalent Ho and eight Sm atoms to form SmSm8Ho4 cuboctahedra that share corners with twelve equivalent SmSm8Ho4 cuboctahedra, edges with eight equivalent HoSm12 cuboctahedra, edges with sixteen SmSm8Ho4 cuboctahedra, faces with four equivalent HoSm12 cuboctahedra, and faces with fourteen SmSm8Ho4 cuboctahedra. All Sm–Sm bond lengths are 3.60 Å. In the second Sm site, Sm is bonded to four equivalent Ho and eight equivalent Sm atoms to form SmSm8Ho4 cuboctahedra that share corners with four equivalent SmSm8Ho4 cuboctahedra, corners with eight equivalent HoSm12 cuboctahedra, edges with twenty-four SmSm8Ho4 cuboctahedra, faces with six equivalent HoSm12 cuboctahedra, and faces with twelve SmSm8Ho4 cuboctahedra.