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CaYCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two CaYCd2 ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to two equivalent Cd atoms. Both Ca–Cd bond lengths are 3.30 Å. Y is bonded in a linear geometry to two equivalent Cd atoms. Both Y–Cd bond lengths are 3.15 Å. Cd is bonded in a linear geometry to one Ca and one Y atom.
CaYCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Ca–Cd bond lengths are 3.28 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Y–Cd bond lengths are 3.28 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Y atoms.