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SmTl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Sm–Tl bond lengths are 3.35 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
SmTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Tl atoms to form SmTl12 cuboctahedra that share corners with twelve equivalent SmTl12 cuboctahedra, edges with twenty-four equivalent TlSm4Tl8 cuboctahedra, faces with six equivalent SmTl12 cuboctahedra, and faces with twelve equivalent TlSm4Tl8 cuboctahedra. All Sm–Tl bond lengths are 3.41 Å. Tl is bonded to four equivalent Sm and eight equivalent Tl atoms to form distorted TlSm4Tl8 cuboctahedra that share corners with twelve equivalent TlSm4Tl8 cuboctahedra, edges with eight equivalent SmTl12 cuboctahedra, edges with sixteen equivalent TlSm4Tl8 cuboctahedra, faces with four equivalent SmTl12 cuboctahedra, and faces with fourteen equivalent TlSm4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.41 Å.
SmTl is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm is bonded in a distorted body-centered cubic geometry to eight equivalent Tl atoms. All Sm–Tl bond lengths are 3.37 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
Sm2Tl crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to eight Sm and six equivalent Tl atoms. There are two shorter (3.44 Å) and six longer (3.62 Å) Sm–Sm bond lengths. All Sm–Tl bond lengths are 3.62 Å. In the second Sm site, Sm is bonded to six equivalent Sm and five equivalent Tl atoms to form a mixture of distorted corner and face-sharing SmSm6Tl5 trigonal bipyramids. There are three shorter (3.19 Å) and two longer (3.44 Å) Sm–Tl bond lengths. Tl is bonded in a 11-coordinate geometry to eleven Sm atoms.