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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on IrCl3 by Materials Project

IrCl3 is Aluminum trichloride-like structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ir3+ is bonded to six Cl1- atoms to form edge-sharing IrCl6 octahedra. All Ir–Cl bond lengths are 2.37 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Ir3+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Ir3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on IrCl2 by Materials Project

IrCl2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ir is bonded to six equivalent Cl atoms to form a mixture of edge and corner-sharing IrCl6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two shorter (2.43 Å) and four longer (2.45 Å) Ir–Cl bond lengths. Cl is bonded in a trigonal planar geometry to three equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on IrCl3 by Materials Project

IrCl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two IrCl3 ribbons oriented in the (0, 0, 1) direction. Ir3+ is bonded to six equivalent Cl1- atoms to form distorted face-sharing IrCl6 pentagonal pyramids. All Ir–Cl bond lengths are 2.41 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Ir3+ atoms.

36 MATERIALS SCIENCE↗