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TbPb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Pb atoms to form a mixture of face and corner-sharing TbPb12 cuboctahedra. All Tb–Pb bond lengths are 3.47 Å. Pb is bonded in a distorted square co-planar geometry to four equivalent Tb atoms.
Tb5Pb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Tb–Pb bond lengths are 3.25 Å. In the second Tb site, Tb is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Tb–Pb bond distances ranging from 3.12–3.63 Å. Pb is bonded in a 9-coordinate geometry to nine Tb atoms.
Tb3Pb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to eight Tb and four equivalent Pb atoms to form distorted TbTb8Pb4 cuboctahedra that share corners with twelve equivalent TbTb8Pb4 cuboctahedra, edges with eight equivalent TbTb8Pb4 cuboctahedra, edges with eight equivalent PbTb12 cuboctahedra, faces with four equivalent PbTb12 cuboctahedra, and faces with ten equivalent TbTb8Pb4 cuboctahedra. There are four shorter (3.35 Å) and four longer (3.53 Å) Tb–Tb bond lengths. All Tb–Pb bond lengths are 3.53 Å. In the second Tb site, Tb is bonded in a square co-planar geometry to eight equivalent Tb and four equivalent Pb atoms. All Tb–Pb bond lengths are 3.35 Å. Pb is bonded to twelve Tb atoms to form PbTb12 cuboctahedra that share corners with four equivalent PbTb12 cuboctahedra, edges with eight equivalent PbTb12 cuboctahedra, edges with sixteen equivalent TbTb8Pb4 cuboctahedra, faces with four equivalent PbTb12 cuboctahedra, and faces with eight equivalent TbTb8Pb4 cuboctahedra.