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Na2BaPb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Na2BaPb ribbons oriented in the (1, 0, 0) direction. Na is bonded in a distorted single-bond geometry to one Ba and one Pb atom. The Na–Ba bond length is 3.96 Å. The Na–Pb bond length is 2.99 Å. Ba is bonded in a linear geometry to two equivalent Na atoms. Pb is bonded in a linear geometry to two equivalent Na atoms.
Na2BaPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Pb atoms. All Na–Ba bond lengths are 3.51 Å. All Na–Pb bond lengths are 3.51 Å. Ba is bonded in a 8-coordinate geometry to eight equivalent Na and six equivalent Pb atoms. All Ba–Pb bond lengths are 4.05 Å. Pb is bonded in a distorted body-centered cubic geometry to eight equivalent Na and six equivalent Ba atoms.
NaBa2Pb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaBa2Pb ribbons oriented in the (1, 0, 0) direction. Na is bonded in a linear geometry to two equivalent Ba atoms. Both Na–Ba bond lengths are 3.80 Å. Ba is bonded in a distorted linear geometry to one Na and one Pb atom. The Ba–Pb bond length is 3.23 Å. Pb is bonded in a linear geometry to two equivalent Ba atoms.