Materials Data on YbDy3 by Materials Project

Abstract

YbDy3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve Dy atoms to form YbDy12 cuboctahedra that share corners with four equivalent YbDy12 cuboctahedra, corners with eight equivalent DyYb4Dy8 cuboctahedra, edges with eight equivalent YbDy12 cuboctahedra, edges with sixteen equivalent DyYb4Dy8 cuboctahedra, faces with four equivalent YbDy12 cuboctahedra, and faces with fourteen DyYb4Dy8 cuboctahedra. All Yb–Dy bond lengths are 3.58 Å. There are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Yb and eight Dy atoms to form DyYb4Dy8 cuboctahedra that share corners with twelve equivalent DyYb4Dy8 cuboctahedra, edges with eight equivalent YbDy12 cuboctahedra, edges with sixteen DyYb4Dy8 cuboctahedra, faces with four equivalent YbDy12 cuboctahedra, and faces with fourteen DyYb4Dy8 cuboctahedra. All Dy–Dy bond lengths are 3.58 Å. In the second Dy site, Dy is bonded to four equivalent Yb and eight equivalent Dy atoms to form DyYb4Dy8 cuboctahedra that share corners with four equivalent DyYb4Dy8 cuboctahedra, corners with eight equivalent YbDy12 cuboctahedra, edges with twenty-four DyYb4Dy8 cuboctahedra, faces with six equivalent YbDy12 cuboctahedra, and faces with twelve DyYb4Dy8 cuboctahedra.