U3TiSb5 crystallizes in the hexagonal P6_3/mcm space group. U(1) is bonded in a 9-coordinate geometry to four equivalent Sb(1) and five equivalent Sb(2) atoms. Ti(1) is bonded to six equivalent Sb(2) atoms to form face-sharing TiSb6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to six equivalent U(1) and two equivalent Sb(1) atoms. In the second Sb site, Sb(2) is bonded to five equivalent U(1) and two equivalent Ti(1) atoms to form a mixture of distorted edge, face, and corner-sharing SbU5Ti2 pentagonal bipyramids.
U3TiSb5 crystallizes in the hexagonal P6_3/mcm space group. U(1) is bonded in a 9-coordinate geometry to four equivalent Sb(1) and five equivalent Sb(2) atoms. All U(1)-Sb(1) bond lengths are 3.26 Å. There are a spread of U(1)-Sb(2) bond distances ranging from 3.16-3.32 Å. Ti(1) is bonded to six equivalent Sb(2) atoms to form face-sharing TiSb6 octahedra. All Ti(1)-Sb(2) bond lengths are 2.85 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to six equivalent U(1) and two equivalent Sb(1) atoms. Both Sb(1)-Sb(1) bond lengths are 3.10 Å. In the second Sb site, Sb(2) is bonded to five equivalent U(1) and two equivalent Ti(1) atoms to form a mixture of distorted edge, face, and corner-sharing SbU5Ti2 pentagonal bipyramids.