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Zr2ReRh crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Zr2ReRh ribbons oriented in the (1, 0, 0) direction. Zr is bonded in a linear geometry to one Re and one Rh atom. The Zr–Re bond length is 2.30 Å. The Zr–Rh bond length is 2.33 Å. Re is bonded in a linear geometry to two equivalent Zr atoms. Rh is bonded in a linear geometry to two equivalent Zr atoms.
Zr2ReRh 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 Re and four equivalent Rh atoms. All Zr–Re bond lengths are 2.87 Å. All Zr–Rh bond lengths are 2.87 Å. Re is bonded in a body-centered cubic geometry to eight equivalent Zr atoms. Rh is bonded in a body-centered cubic geometry to eight equivalent Zr atoms.