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CaMgCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two CaMgCd2 ribbons oriented in the (0, 1, 0) direction. Ca is bonded in a linear geometry to two equivalent Cd atoms. Both Ca–Cd bond lengths are 3.50 Å. Mg is bonded in a linear geometry to two equivalent Cd atoms. Both Mg–Cd bond lengths are 3.20 Å. Cd is bonded in a linear geometry to one Ca and one Mg atom.
CaMgCd2 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 3.16 Å. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Cd atoms. All Mg–Cd bond lengths are 3.16 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Mg atoms.