Materials Data on DyIn5Co by Materials Project

Abstract

DyCoIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Dy is bonded to twelve In atoms to form DyIn12 cuboctahedra that share corners with four equivalent DyIn12 cuboctahedra, faces with four equivalent DyIn12 cuboctahedra, and faces with four equivalent InDy4In8 cuboctahedra. All Dy–In bond lengths are 3.23 Å. Co is bonded in a body-centered cubic geometry to eight In atoms. All Co–In bond lengths are 2.71 Å. There are five inequivalent In sites. In the first In site, In is bonded to four equivalent Dy and eight In atoms to form distorted InDy4In8 cuboctahedra that share corners with four equivalent InDy4In8 cuboctahedra, faces with four equivalent DyIn12 cuboctahedra, and faces with four equivalent InDy4In8 cuboctahedra. All In–In bond lengths are 3.23 Å. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Dy, two equivalent Co, and seven In atoms. There are one shorter (2.91 Å) and four longer (3.23 Å) In–In bond lengths. In the third In site, In is bonded in a 4-coordinate geometry to two equivalent Dy, two equivalent Co, and seven In atoms. The In–In bond length is 2.91 Å. In the fourth In site, In is bonded in a 4-coordinate geometry to two equivalent Dy, two equivalent Co, and seven In atoms. All In–In bond lengths are 3.23 Å. In the fifth In site, In is bonded in a 4-coordinate geometry to two equivalent Dy, two equivalent Co, and seven In atoms.