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IrSn4 crystallizes in the tetragonal I4_1/acd space group. The structure is two-dimensional and consists of four IrSn4 sheets oriented in the (0, 0, 1) direction. Ir is bonded in a 8-coordinate geometry to eight equivalent Sn atoms. There are four shorter (2.78 Å) and four longer (2.79 Å) Ir–Sn bond lengths. Sn is bonded in a 2-coordinate geometry to two equivalent Ir atoms.
IrSn4 crystallizes in the orthorhombic Ccce space group. The structure is two-dimensional and consists of two IrSn4 sheets oriented in the (0, 1, 0) direction. Ir is bonded in a 8-coordinate geometry to eight equivalent Sn atoms. There are four shorter (2.78 Å) and four longer (2.79 Å) Ir–Sn bond lengths. Sn is bonded in a 2-coordinate geometry to two equivalent Ir atoms.