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DOE OSTI2020

Materials Data on IrI3 by Materials Project

IrI3 is Aluminum trichloride structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one IrI3 sheet oriented in the (0, 0, 1) direction. Ir3+ is bonded to six I1- atoms to form edge-sharing IrI6 octahedra. All Ir–I bond lengths are 2.69 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent Ir3+ atoms. In the second I1- site, I1- is bonded in an L-shaped geometry to two equivalent Ir3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on IrI by Materials Project

IrI is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ir is bonded to four equivalent I atoms to form corner-sharing IrI4 tetrahedra. All Ir–I bond lengths are 2.60 Å. I is bonded to four equivalent Ir atoms to form corner-sharing IIr4 tetrahedra.

36 MATERIALS SCIENCE↗