DOE OSTI2020
Dy5Pd2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Pd and two equivalent Bi atoms to form distorted DyBi2Pd4 octahedra that share corners with six equivalent DyBi2Pd4 octahedra, corners with sixteen equivalent DyBi2Pd3 trigonal bipyramids, and faces with eight equivalent DyBi2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Dy–Pd bond lengths are 3.04 Å. Both Dy–Bi bond lengths are 3.42 Å. In the second Dy site, Dy is bonded to three equivalent Pd and two equivalent Bi atoms to form distorted DyBi2Pd3 trigonal bipyramids that share corners with four equivalent DyBi2Pd4 octahedra, corners with twelve equivalent DyBi2Pd3 trigonal bipyramids, edges with seven equivalent DyBi2Pd3 trigonal bipyramids, faces with two equivalent DyBi2Pd4 octahedra, and a faceface with one DyBi2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 43–63°. There are two shorter (2.98 Å) and one longer (3.00 Å) Dy–Pd bond lengths. Both Dy–Bi bond lengths are 3.33 Å. Pd is bonded in a 8-coordinate geometry to eight Dy atoms. Bi is bonded in a distorted q6 geometry to ten Dy atoms.