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Ca2HgCd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ca2HgCd ribbons oriented in the (0, 1, 0) direction. Ca is bonded in a linear geometry to one Hg and one Cd atom. The Ca–Hg bond length is 3.40 Å. The Ca–Cd bond length is 3.45 Å. Hg is bonded in a linear geometry to two equivalent Ca atoms. Cd is bonded in a linear geometry to two equivalent Ca atoms.
Ca2HgCd 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 four equivalent Hg and four equivalent Cd atoms. All Ca–Hg bond lengths are 3.32 Å. All Ca–Cd bond lengths are 3.32 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Ca atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.