Materials Data on YbSm3 by Materials Project

Abstract

YbSm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to twelve equivalent Sm atoms to form YbSm12 cuboctahedra that share corners with six equivalent YbSm12 cuboctahedra, corners with twelve equivalent SmYb4Sm8 cuboctahedra, edges with eighteen equivalent SmYb4Sm8 cuboctahedra, faces with eight equivalent YbSm12 cuboctahedra, and faces with twelve equivalent SmYb4Sm8 cuboctahedra. There are six shorter (3.65 Å) and six longer (3.68 Å) Yb–Sm bond lengths. Sm is bonded to four equivalent Yb and eight equivalent Sm atoms to form SmYb4Sm8 cuboctahedra that share corners with four equivalent YbSm12 cuboctahedra, corners with fourteen equivalent SmYb4Sm8 cuboctahedra, edges with six equivalent YbSm12 cuboctahedra, edges with twelve equivalent SmYb4Sm8 cuboctahedra, faces with four equivalent YbSm12 cuboctahedra, and faces with sixteen equivalent SmYb4Sm8 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.62–3.73 Å.