Materials Data on TbSm3 by Materials Project

Abstract

TbSm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Sm atoms to form TbSm12 cuboctahedra that share corners with six equivalent TbSm12 cuboctahedra, corners with twelve equivalent SmTb4Sm8 cuboctahedra, edges with eighteen equivalent SmTb4Sm8 cuboctahedra, faces with eight equivalent TbSm12 cuboctahedra, and faces with twelve equivalent SmTb4Sm8 cuboctahedra. There are six shorter (3.62 Å) and six longer (3.64 Å) Tb–Sm bond lengths. Sm is bonded to four equivalent Tb and eight equivalent Sm atoms to form SmTb4Sm8 cuboctahedra that share corners with four equivalent TbSm12 cuboctahedra, corners with fourteen equivalent SmTb4Sm8 cuboctahedra, edges with six equivalent TbSm12 cuboctahedra, edges with twelve equivalent SmTb4Sm8 cuboctahedra, faces with four equivalent TbSm12 cuboctahedra, and faces with sixteen equivalent SmTb4Sm8 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.62–3.65 Å.