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Zr2TcIr crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Zr2TcIr ribbons oriented in the (1, 0, 0) direction. Zr is bonded in a linear geometry to one Tc and one Ir atom. The Zr–Tc bond length is 2.22 Å. The Zr–Ir bond length is 2.37 Å. Tc is bonded in a linear geometry to two equivalent Zr atoms. Ir is bonded in a linear geometry to two equivalent Zr atoms.
Zr2TcIr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Ir atoms. All Zr–Tc bond lengths are 2.86 Å. All Zr–Ir bond lengths are 2.86 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Zr atoms. Ir is bonded in a body-centered cubic geometry to eight equivalent Zr atoms.