TiSb3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Ti(1) is bonded to four equivalent Sb(2) and eight equivalent Sb(1) atoms to form TiSb12 cuboctahedra that share corners with four equivalent Ti(1)Sb12 cuboctahedra, edges with eight equivalent Ti(1)Sb12 cuboctahedra, edges with sixteen equivalent Sb(1)Ti4Sb8 cuboctahedra, faces with four equivalent Ti(1)Sb12 cuboctahedra, and faces with eight equivalent Sb(1)Ti4Sb8 cuboctahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to four equivalent Ti(1), four equivalent Sb(1), and four equivalent Sb(2) atoms to form distorted SbTi4Sb8 cuboctahedra that share corners with twelve equivalent Sb(1)Ti4Sb8 cuboctahedra, edges with eight equivalent Ti(1)Sb12 cuboctahedra, edges with eight equivalent Sb(1)Ti4Sb8 cuboctahedra, faces with four equivalent Ti(1)Sb12 cuboctahedra, and faces with ten equivalent Sb(1)Ti4Sb8 cuboctahedra. In the second Sb site, Sb(2) is bonded in a distorted square co-planar geometry to four equivalent Ti(1) and eight equivalent Sb(1) atoms.
TiSb3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Ti(1) is bonded to four equivalent Sb(2) and eight equivalent Sb(1) atoms to form TiSb12 cuboctahedra that share corners with four equivalent Ti(1)Sb12 cuboctahedra, edges with eight equivalent Ti(1)Sb12 cuboctahedra, edges with sixteen equivalent Sb(1)Ti4Sb8 cuboctahedra, faces with four equivalent Ti(1)Sb12 cuboctahedra, and faces with eight equivalent Sb(1)Ti4Sb8 cuboctahedra. All Ti(1)-Sb(2) bond lengths are 3.12 Å. All Ti(1)-Sb(1) bond lengths are 3.30 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to four equivalent Ti(1), four equivalent Sb(1), and four equivalent Sb(2) atoms to form distorted SbTi4Sb8 cuboctahedra that share corners with twelve equivalent Sb(1)Ti4Sb8 cuboctahedra, edges with eight equivalent Ti(1)Sb12 cuboctahedra, edges with eight equivalent Sb(1)Ti4Sb8 cuboctahedra, faces with four equivalent Ti(1)Sb12 cuboctahedra, and faces with ten equivalent Sb(1)Ti4Sb8 cuboctahedra. All Sb(1)-Sb(1) bond lengths are 3.12 Å. All Sb(1)-Sb(2) bond lengths are 3.30 Å. In the second Sb site, Sb(2) is bonded in a distorted square co-planar geometry to four equivalent Ti(1) and eight equivalent Sb(1) atoms.