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Ba2MgIn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ba2MgIn ribbons oriented in the (0, 1, 0) direction. Ba is bonded in a linear geometry to one Mg and one In atom. The Ba–Mg bond length is 3.88 Å. The Ba–In bond length is 3.38 Å. Mg is bonded in a linear geometry to two equivalent Ba atoms. In is bonded in a linear geometry to two equivalent Ba atoms.
Ba2MgIn 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 Mg and four equivalent In atoms. All Ba–Mg bond lengths are 3.73 Å. All Ba–In bond lengths are 3.73 Å. Mg 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.