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Ca2HgGe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ca2HgGe ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to one Hg and one Ge atom. The Ca–Hg bond length is 3.28 Å. The Ca–Ge bond length is 2.79 Å. Hg is bonded in a linear geometry to two equivalent Ca atoms. Ge is bonded in a linear geometry to two equivalent Ca atoms.
Ca2HgGe 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 Ge atoms. All Ca–Hg bond lengths are 3.24 Å. All Ca–Ge bond lengths are 3.24 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Ca atoms. Ge is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.