Materials Data on Dy8Ga3Co by Materials Project

Abstract

Dy8CoGa3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Dy sites. In the first Dy site, Dy is bonded to one Co and three equivalent Ga atoms to form distorted DyGa3Co trigonal pyramids that share a cornercorner with one DyGa6 octahedra, corners with two equivalent DyGa3Co tetrahedra, corners with eight equivalent DyGa3Co trigonal pyramids, an edgeedge with one DyGa6 octahedra, an edgeedge with one DyGa3Co tetrahedra, and a faceface with one DyGa6 octahedra. The corner-sharing octahedral tilt angles are 54°. The Dy–Co bond length is 2.83 Å. There are two shorter (2.94 Å) and one longer (3.12 Å) Dy–Ga bond lengths. In the second Dy site, Dy is bonded to one Co and three equivalent Ga atoms to form distorted DyGa3Co tetrahedra that share corners with six equivalent DyGa6 octahedra, corners with six equivalent DyGa3Co trigonal pyramids, and edges with three equivalent DyGa3Co trigonal pyramids. The corner-sharing octahedra tilt angles range from 16–46°. The Dy–Co bond length is 2.65 Å. All Dy–Ga bond lengths are 3.09 Å. In the third Dy site, Dy is bonded in a 3-coordinate geometry to one Co and two equivalent Ga atoms. The Dy–Co bond length is 2.79 Å. Both Dy–Ga bond lengths are 3.17 Å. In the fourth Dy site, Dy is bonded to six equivalent Ga atoms to form distorted DyGa6 octahedra that share corners with six equivalent DyGa3Co tetrahedra, corners with three equivalent DyGa3Co trigonal pyramids, edges with three equivalent DyGa3Co trigonal pyramids, faces with two equivalent DyGa6 octahedra, and faces with three equivalent DyGa3Co trigonal pyramids. There are three shorter (3.25 Å) and three longer (3.40 Å) Dy–Ga bond lengths. Co is bonded in a 7-coordinate geometry to seven Dy atoms. Ga is bonded in a 11-coordinate geometry to eight Dy atoms.