Materials Data on Sm3Sc by Materials Project

Abstract

Sm3Sc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to eight equivalent Sm and four equivalent Sc atoms to form distorted SmSm8Sc4 cuboctahedra that share corners with four equivalent ScSm12 cuboctahedra, corners with fourteen equivalent SmSm8Sc4 cuboctahedra, edges with six equivalent ScSm12 cuboctahedra, edges with twelve equivalent SmSm8Sc4 cuboctahedra, faces with four equivalent ScSm12 cuboctahedra, and faces with sixteen equivalent SmSm8Sc4 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.53–3.66 Å. There are two shorter (3.49 Å) and two longer (3.60 Å) Sm–Sc bond lengths. Sc is bonded to twelve equivalent Sm atoms to form ScSm12 cuboctahedra that share corners with six equivalent ScSm12 cuboctahedra, corners with twelve equivalent SmSm8Sc4 cuboctahedra, edges with eighteen equivalent SmSm8Sc4 cuboctahedra, faces with eight equivalent ScSm12 cuboctahedra, and faces with twelve equivalent SmSm8Sc4 cuboctahedra.