Materials Data on CeSm3 by Materials Project

Abstract

Sm3Ce is Magnesium-derived 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 Ce atoms to form SmCe4Sm8 cuboctahedra that share corners with four equivalent CeSm12 cuboctahedra, corners with fourteen equivalent SmCe4Sm8 cuboctahedra, edges with six equivalent CeSm12 cuboctahedra, edges with twelve equivalent SmCe4Sm8 cuboctahedra, faces with four equivalent CeSm12 cuboctahedra, and faces with sixteen equivalent SmCe4Sm8 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.59–3.61 Å. There are two shorter (3.59 Å) and two longer (3.60 Å) Sm–Ce bond lengths. Ce is bonded to twelve equivalent Sm atoms to form CeSm12 cuboctahedra that share corners with six equivalent CeSm12 cuboctahedra, corners with twelve equivalent SmCe4Sm8 cuboctahedra, edges with eighteen equivalent SmCe4Sm8 cuboctahedra, faces with eight equivalent CeSm12 cuboctahedra, and faces with twelve equivalent SmCe4Sm8 cuboctahedra.