Materials Data on Y6IrI10 by Materials Project
Y6IrI10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded to one Ir and five I atoms to form a mixture of corner and edge-sharing YIrI5 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. The Y–Ir bond length is 2.75 Å. There are a spread of Y–I bond distances ranging from 3.12–3.33 Å. In the second Y site, Y is bonded to one Ir and five I atoms to form a mixture of distorted corner and edge-sharing YIrI5 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. The Y–Ir bond length is 2.67 Å. There are a spread of Y–I bond distances ranging from 3.06–3.38 Å. In the third Y site, Y is bonded to one Ir and five I atoms to form a mixture of corner and edge-sharing YIrI5 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Y–Ir bond length is 2.77 Å. There are a spread of Y–I bond distances ranging from 3.02–3.31 Å. Ir is bonded in an octahedral geometry to six Y atoms. There are five inequivalent I sites. In the first I site, I is bonded in a distorted L-shaped geometry to two Y atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three Y atoms. In the third I site, I is bonded in a distorted T-shaped geometry to three Y atoms. In the fourth I site, I is bonded in a distorted see-saw-like geometry to four Y atoms. In the fifth I site, I is bonded in a 3-coordinate geometry to three Y atoms.