Materials Data on SmZr by Materials Project

Abstract

SmZr crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sm is bonded to six equivalent Sm and six equivalent Zr atoms to form SmSm6Zr6 cuboctahedra that share corners with eighteen equivalent SmSm6Zr6 cuboctahedra, edges with six equivalent SmSm6Zr6 cuboctahedra, edges with twelve equivalent ZrSm6Zr6 cuboctahedra, faces with eight equivalent SmSm6Zr6 cuboctahedra, and faces with twelve equivalent ZrSm6Zr6 cuboctahedra. All Sm–Sm bond lengths are 3.40 Å. All Sm–Zr bond lengths are 3.39 Å. Zr is bonded to six equivalent Sm and six equivalent Zr atoms to form ZrSm6Zr6 cuboctahedra that share corners with eighteen equivalent ZrSm6Zr6 cuboctahedra, edges with six equivalent ZrSm6Zr6 cuboctahedra, edges with twelve equivalent SmSm6Zr6 cuboctahedra, faces with eight equivalent ZrSm6Zr6 cuboctahedra, and faces with twelve equivalent SmSm6Zr6 cuboctahedra. All Zr–Zr bond lengths are 3.40 Å.