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SmHg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Hg atoms to form a mixture of corner and face-sharing SmHg12 cuboctahedra. There are six shorter (3.21 Å) and six longer (3.39 Å) Sm–Hg bond lengths. Hg is bonded in a 4-coordinate geometry to four equivalent Sm atoms.
Sm3Hg is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded in a distorted see-saw-like geometry to four equivalent Hg atoms. There are two shorter (3.37 Å) and two longer (3.52 Å) Sm–Hg bond lengths. Hg is bonded to twelve equivalent Sm atoms to form a mixture of face and corner-sharing HgSm12 cuboctahedra.
SmHg2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one SmHg2 sheet oriented in the (0, 0, 1) direction. Sm is bonded in a distorted hexagonal planar geometry to six equivalent Hg atoms. All Sm–Hg bond lengths are 3.15 Å. Hg is bonded in a distorted trigonal planar geometry to three equivalent Sm atoms.