Y3IrI3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to three equivalent Ir(1), one I(3), and two equivalent I(1) atoms to form distorted edge-sharing YIr3I3 octahedra. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one Ir(1), two equivalent I(2), and three equivalent I(3) atoms. In the third Y site, Y(3) is bonded in a 7-coordinate geometry to three equivalent Ir(1), one I(2), and three equivalent I(1) atoms. Ir(1) is bonded in a 6-coordinate geometry to one Y(2), three equivalent Y(1), and three equivalent Y(3) atoms. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 5-coordinate geometry to two equivalent Y(1) and three equivalent Y(3) atoms. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Y(3) and two equivalent Y(2) atoms. In the third I site, I(3) is bonded in a distorted see-saw-like geometry to one Y(1) and three equivalent Y(2) atoms.
Y3IrI3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to three equivalent Ir(1), one I(3), and two equivalent I(1) atoms to form distorted edge-sharing YIr3I3 octahedra. There are two shorter (2.77 Å) and one longer (2.91 Å) Y(1)-Ir(1) bond length. The Y(1)-I(3) bond length is 3.24 Å. Both Y(1)-I(1) bond lengths are 3.32 Å. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one Ir(1), two equivalent I(2), and three equivalent I(3) atoms. The Y(2)-Ir(1) bond length is 2.74 Å. Both Y(2)-I(2) bond lengths are 3.12 Å. There are two shorter (3.21 Å) and one longer (3.54 Å) Y(2)-I(3) bond length. In the third Y site, Y(3) is bonded in a 7-coordinate geometry to three equivalent Ir(1), one I(2), and three equivalent I(1) atoms. There are two shorter (2.78 Å) and one longer (3.41 Å) Y(3)-Ir(1) bond length. The Y(3)-I(2) bond length is 3.29 Å. There is one shorter (3.36 Å) and two longer (3.56 Å) Y(3)-I(1) bond lengths. Ir(1) is bonded in a 6-coordinate geometry to one Y(2), three equivalent Y(1), and three equivalent Y(3) atoms. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 5-coordinate geometry to two equivalent Y(1) and three equivalent Y(3) atoms. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Y(3) and two equivalent Y(2) atoms. In the third I site, I(3) is bonded in a distorted see-saw-like geometry to one Y(1) and three equivalent Y(2) atoms.