Materials Data on Sm3Dy by Materials Project

Abstract

DySm3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded to twelve Sm atoms to form DySm12 cuboctahedra that share corners with four equivalent DySm12 cuboctahedra, corners with eight equivalent SmSm8Dy4 cuboctahedra, edges with eight equivalent DySm12 cuboctahedra, edges with sixteen equivalent SmSm8Dy4 cuboctahedra, faces with four equivalent DySm12 cuboctahedra, and faces with fourteen SmSm8Dy4 cuboctahedra. All Dy–Sm bond lengths are 3.60 Å. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded to four equivalent Dy and eight Sm atoms to form SmSm8Dy4 cuboctahedra that share corners with twelve equivalent SmSm8Dy4 cuboctahedra, edges with eight equivalent DySm12 cuboctahedra, edges with sixteen SmSm8Dy4 cuboctahedra, faces with four equivalent DySm12 cuboctahedra, and faces with fourteen SmSm8Dy4 cuboctahedra. All Sm–Sm bond lengths are 3.60 Å. In the second Sm site, Sm is bonded to four equivalent Dy and eight equivalent Sm atoms to form SmSm8Dy4 cuboctahedra that share corners with four equivalent SmSm8Dy4 cuboctahedra, corners with eight equivalent DySm12 cuboctahedra, edges with twenty-four SmSm8Dy4 cuboctahedra, faces with six equivalent DySm12 cuboctahedra, and faces with twelve SmSm8Dy4 cuboctahedra.