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We report a structural transition found in Ca10(Ir4As8)(Fe2-xIrxAs2)5, whichexhibits superconductivity at 16 K, with a layer of divalent iridiumcoordinated by arsenic in between Fe2As2 layers. The c-axis parameter isdoubled below a structural transition temperature of approximately 100 K, whilethe tetragonal symmetry with space group P4/n (No.85) is unchanged at alltemperatures measured. Our synchrotron x-ray diffraction study clearly showsdisplacements along the z-direction occur in half of the iridium sites,resulting in a complex orbital ordering pattern. Combining our theoreticalcalculation of the 5d orbital energies with structural data, we propose theiridium orbital crossover transition between the dxy and dz2 orbitals.

Iridium Orbital Crossover at the Structural Phase Transition in Ca10(Ir4As8)(Fe2-xIrxAs2)5