Materials Data on Sm3Pu by Materials Project

Abstract

PuSm3 is beta-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Pu is bonded to six equivalent Pu and six equivalent Sm atoms to form PuSm6Pu6 cuboctahedra that share corners with six equivalent PuSm6Pu6 cuboctahedra, corners with six equivalent SmSm12 cuboctahedra, edges with six equivalent PuSm6Pu6 cuboctahedra, edges with eighteen SmSm12 cuboctahedra, faces with six equivalent PuSm6Pu6 cuboctahedra, and faces with twelve equivalent SmSm9Pu3 cuboctahedra. There are four shorter (3.56 Å) and two longer (3.59 Å) Pu–Pu bond lengths. There are two shorter (3.52 Å) and four longer (3.53 Å) Pu–Sm bond lengths. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded to twelve Sm atoms to form SmSm12 cuboctahedra that share corners with six equivalent PuSm6Pu6 cuboctahedra, corners with six equivalent SmSm12 cuboctahedra, edges with six equivalent PuSm6Pu6 cuboctahedra, edges with eighteen SmSm12 cuboctahedra, and faces with eighteen SmSm12 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.56–3.71 Å. In the second Sm site, Sm is bonded to three equivalent Pu and nine Sm atoms to form SmSm9Pu3 cuboctahedra that share corners with eighteen equivalent SmSm9Pu3 cuboctahedra, edges with six equivalent PuSm6Pu6 cuboctahedra, edges with twelve SmSm12 cuboctahedra, faces with six equivalent PuSm6Pu6 cuboctahedra, and faces with fourteen SmSm12 cuboctahedra. There are four shorter (3.56 Å) and two longer (3.59 Å) Sm–Sm bond lengths.