Materials Data on Sm3Np by Materials Project

Abstract

NpSm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Np is bonded to twelve equivalent Sm atoms to form NpSm12 cuboctahedra that share corners with six equivalent NpSm12 cuboctahedra, corners with twelve equivalent SmSm8Np4 cuboctahedra, edges with eighteen equivalent SmSm8Np4 cuboctahedra, faces with eight equivalent NpSm12 cuboctahedra, and faces with twelve equivalent SmSm8Np4 cuboctahedra. There are six shorter (3.52 Å) and six longer (3.60 Å) Np–Sm bond lengths. Sm is bonded to four equivalent Np and eight equivalent Sm atoms to form SmSm8Np4 cuboctahedra that share corners with four equivalent NpSm12 cuboctahedra, corners with fourteen equivalent SmSm8Np4 cuboctahedra, edges with six equivalent NpSm12 cuboctahedra, edges with twelve equivalent SmSm8Np4 cuboctahedra, faces with four equivalent NpSm12 cuboctahedra, and faces with sixteen equivalent SmSm8Np4 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.54–3.65 Å.