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HoTl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ho–Tl bond lengths are 3.28 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
HoTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Tl atoms to form HoTl12 cuboctahedra that share corners with twelve equivalent HoTl12 cuboctahedra, edges with twenty-four equivalent TlHo4Tl8 cuboctahedra, faces with six equivalent HoTl12 cuboctahedra, and faces with twelve equivalent TlHo4Tl8 cuboctahedra. All Ho–Tl bond lengths are 3.37 Å. Tl is bonded to four equivalent Ho and eight equivalent Tl atoms to form TlHo4Tl8 cuboctahedra that share corners with twelve equivalent TlHo4Tl8 cuboctahedra, edges with eight equivalent HoTl12 cuboctahedra, edges with sixteen equivalent TlHo4Tl8 cuboctahedra, faces with four equivalent HoTl12 cuboctahedra, and faces with fourteen equivalent TlHo4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.37 Å.
Ho5Tl3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Tl atoms. All Ho–Tl bond lengths are 3.21 Å. In the second Ho site, Ho is bonded in a 3-coordinate geometry to five equivalent Tl atoms. There are a spread of Ho–Tl bond distances ranging from 3.14–3.68 Å. Tl is bonded in a 9-coordinate geometry to nine Ho atoms.