Materials Data on Tb3Dy by Materials Project

Abstract

DyTb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded to twelve Tb atoms to form DyTb12 cuboctahedra that share corners with four equivalent DyTb12 cuboctahedra, corners with eight equivalent TbTb8Dy4 cuboctahedra, edges with eight equivalent DyTb12 cuboctahedra, edges with sixteen equivalent TbTb8Dy4 cuboctahedra, faces with four equivalent DyTb12 cuboctahedra, and faces with fourteen TbTb8Dy4 cuboctahedra. All Dy–Tb bond lengths are 3.56 Å. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Dy and eight Tb atoms to form TbTb8Dy4 cuboctahedra that share corners with twelve equivalent TbTb8Dy4 cuboctahedra, edges with eight equivalent DyTb12 cuboctahedra, edges with sixteen TbTb8Dy4 cuboctahedra, faces with four equivalent DyTb12 cuboctahedra, and faces with fourteen TbTb8Dy4 cuboctahedra. All Tb–Tb bond lengths are 3.56 Å. In the second Tb site, Tb is bonded to four equivalent Dy and eight equivalent Tb atoms to form TbTb8Dy4 cuboctahedra that share corners with four equivalent TbTb8Dy4 cuboctahedra, corners with eight equivalent DyTb12 cuboctahedra, edges with twenty-four TbTb8Dy4 cuboctahedra, faces with six equivalent DyTb12 cuboctahedra, and faces with twelve TbTb8Dy4 cuboctahedra.