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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.
Sm11Hg45 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are five inequivalent Sm sites. In the first Sm site, Sm is bonded in a 8-coordinate geometry to fourteen Hg atoms. There are a spread of Sm–Hg bond distances ranging from 3.19–3.39 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to fourteen Hg atoms. There are a spread of Sm–Hg bond distances ranging from 3.20–3.89 Å. In the third Sm site, Sm is bonded in a 4-coordinate geometry to sixteen Hg atoms. There are four shorter (3.39 Å) and twelve longer (3.47 Å) Sm–Hg bond lengths. In the fourth Sm site, Sm is bonded in a 3-coordinate geometry to sixteen Hg atoms. There are a spread of Sm–Hg bond distances ranging from 3.39–3.63 Å. In the fifth Sm site, Sm is bonded in a 10-coordinate geometry to sixteen Hg atoms. There are a spread of Sm–Hg bond distances ranging from 3.21–3.69 Å. There are fourteen inequivalent Hg sites. In the first Hg site, Hg is bonded in a 9-coordinate geometry to five Sm and eight Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.03–3.23 Å. In the second Hg site, Hg is bonded in a tetrahedral geometry to four equivalent Sm atoms. In the third Hg site, Hg is bonded in a 11-coordinate geometry to three Sm and eight Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.86–3.31 Å. In the fourth Hg site, Hg is bonded in a distorted body-centered cubic geometry to four Sm and four Hg atoms. There are two shorter (2.90 Å) and two longer (3.07 Å) Hg–Hg bond lengths. In the fifth Hg site, Hg is bonded in a 12-coordinate geometry to four Sm and four Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.84–3.02 Å. In the sixth Hg site, Hg is bonded in a 3-coordinate geometry to three Sm and five Hg atoms. There are one shorter (3.07 Å) and two longer (3.26 Å) Hg–Hg bond lengths. In the seventh Hg site, Hg is bonded in a 12-coordinate geometry to four Sm and eight Hg atoms. Both Hg–Hg bond lengths are 3.33 Å. In the eighth Hg site, Hg is bonded in a 11-coordinate geometry to three equivalent Sm and eight Hg atoms. There are one shorter (2.97 Å) and one longer (3.37 Å) Hg–Hg bond lengths. In the ninth Hg site, Hg is bonded in a 4-coordinate geometry to four Sm and one Hg atom. The Hg–Hg bond length is 3.03 Å. In the tenth Hg site, Hg is bonded in a 3-coordinate geometry to three Sm and five Hg atoms. In the eleventh Hg site, Hg is bonded in a distorted body-centered cubic geometry to four Sm and four Hg atoms. In the twelfth Hg site, Hg is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Hg atoms. In the thirteenth Hg site, Hg is bonded in a 1-coordinate geometry to four Sm and four Hg atoms. In the fourteenth Hg site, Hg is bonded in a 1-coordinate geometry to four Sm and four Hg atoms. There are one shorter (3.28 Å) and three longer (3.55 Å) Hg–Sm bond lengths. There are three shorter (3.07 Å) and one longer (3.37 Å) Hg–Hg bond lengths.
SmHg2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Hg atoms to form a mixture of edge and face-sharing SmHg12 cuboctahedra. All Sm–Hg bond lengths are 3.38 Å. Hg is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Hg atoms. All Hg–Hg bond lengths are 2.87 Å.
SmHg2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm is bonded to eight equivalent Hg atoms to form edge-sharing SmHg8 hexagonal bipyramids. There are a spread of Sm–Hg bond distances ranging from 3.17–3.20 Å. Hg is bonded in a 4-coordinate geometry to four equivalent Sm atoms.