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NaCd2In crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaCd2In ribbons oriented in the (1, 0, 0) direction. Na is bonded in a linear geometry to two equivalent Cd atoms. Both Na–Cd bond lengths are 3.02 Å. Cd is bonded in a linear geometry to one Na and one In atom. The Cd–In bond length is 2.96 Å. In is bonded in a linear geometry to two equivalent Cd atoms.
NaCd2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to eight equivalent Cd and six equivalent In atoms. All Na–Cd bond lengths are 3.19 Å. All Na–In bond lengths are 3.68 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent In atoms. All Cd–In bond lengths are 3.19 Å. In is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Cd atoms.