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BaSrHg2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BaSrHg2 ribbons oriented in the (0, 1, 0) direction. Ba is bonded in a linear geometry to two equivalent Hg atoms. Both Ba–Hg bond lengths are 3.71 Å. Sr is bonded in a linear geometry to two equivalent Hg atoms. Both Sr–Hg bond lengths are 3.58 Å. Hg is bonded in a linear geometry to one Ba and one Sr atom.
BaSrHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Ba–Hg bond lengths are 3.57 Å. Sr is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Sr–Hg bond lengths are 3.57 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Sr atoms.