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Ba2HgIn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ba2HgIn ribbons oriented in the (0, 1, 0) direction. Ba is bonded in a linear geometry to one Hg and one In atom. The Ba–Hg bond length is 3.72 Å. The Ba–In bond length is 3.36 Å. Hg is bonded in a linear geometry to two equivalent Ba atoms. In is bonded in a linear geometry to two equivalent Ba atoms.
Ba2HgIn 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 Hg and four equivalent In atoms. All Ba–Hg bond lengths are 3.69 Å. All Ba–In bond lengths are 3.69 Å. Hg 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.