Materials Data on Sm3Er by Materials Project

Abstract

ErSm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded to twelve equivalent Sm atoms to form ErSm12 cuboctahedra that share corners with six equivalent ErSm12 cuboctahedra, corners with twelve equivalent SmSm8Er4 cuboctahedra, edges with eighteen equivalent SmSm8Er4 cuboctahedra, faces with eight equivalent ErSm12 cuboctahedra, and faces with twelve equivalent SmSm8Er4 cuboctahedra. There are six shorter (3.59 Å) and six longer (3.66 Å) Er–Sm bond lengths. Sm is bonded to four equivalent Er and eight equivalent Sm atoms to form SmSm8Er4 cuboctahedra that share corners with four equivalent ErSm12 cuboctahedra, corners with fourteen equivalent SmSm8Er4 cuboctahedra, edges with six equivalent ErSm12 cuboctahedra, edges with twelve equivalent SmSm8Er4 cuboctahedra, faces with four equivalent ErSm12 cuboctahedra, and faces with sixteen equivalent SmSm8Er4 cuboctahedra. There are four shorter (3.59 Å) and four longer (3.66 Å) Sm–Sm bond lengths.