DOE OSTI2019
Dy5RuI7 crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded to three equivalent Ru and three equivalent I atoms to form edge-sharing DyRu3I3 octahedra. All Dy–Ru bond lengths are 2.80 Å. All Dy–I bond lengths are 3.30 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to one Ru and five I atoms. The Dy–Ru bond length is 2.68 Å. There are a spread of Dy–I bond distances ranging from 3.15–3.48 Å. In the third Dy site, Dy is bonded to six I atoms to form edge-sharing DyI6 octahedra. There are three shorter (3.07 Å) and three longer (3.11 Å) Dy–I bond lengths. Ru is bonded to six Dy atoms to form edge-sharing RuDy6 octahedra. There are three inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three Dy atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three equivalent Dy atoms. In the third I site, I is bonded in a distorted see-saw-like geometry to four Dy atoms.