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Ba2ZnIn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ba2ZnIn ribbons oriented in the (0, 1, 0) direction. Ba is bonded in a linear geometry to one Zn and one In atom. The Ba–Zn bond length is 3.65 Å. The Ba–In bond length is 3.38 Å. Zn is bonded in a linear geometry to two equivalent Ba atoms. In is bonded in a linear geometry to two equivalent Ba atoms.
Ba2ZnIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent In atoms. All Ba–Zn bond lengths are 3.64 Å. All Ba–In bond lengths are 3.64 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ba atoms. In is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.