Ti2CuSb3 crystallizes in the tetragonal P-4m2 space group. Ti(1) is bonded in a 9-coordinate geometry to two equivalent Cu(1), two equivalent Sb(2), and five equivalent Sb(1) atoms. Cu(1) is bonded to four equivalent Ti(1) and four equivalent Sb(2) atoms to form distorted CuTi4Sb4 hexagonal bipyramids that share corners with four equivalent Cu(1)Ti4Sb4 hexagonal bipyramids, edges with four equivalent Sb(2)Ti4Cu4 hexagonal bipyramids, and faces with four equivalent Cu(1)Ti4Sb4 hexagonal bipyramids. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to five equivalent Ti(1) atoms. In the second Sb site, Sb(2) is bonded to four equivalent Ti(1) and four equivalent Cu(1) atoms to form distorted SbTi4Cu4 hexagonal bipyramids that share corners with four equivalent Sb(2)Ti4Cu4 hexagonal bipyramids, edges with four equivalent Cu(1)Ti4Sb4 hexagonal bipyramids, and faces with four equivalent Sb(2)Ti4Cu4 hexagonal bipyramids.
Ti2CuSb3 crystallizes in the tetragonal P-4m2 space group. Ti(1) is bonded in a 9-coordinate geometry to two equivalent Cu(1), two equivalent Sb(2), and five equivalent Sb(1) atoms. Both Ti(1)-Cu(1) bond lengths are 2.89 Å. Both Ti(1)-Sb(2) bond lengths are 2.89 Å. There are four shorter (2.85 Å) and one longer (3.00 Å) Ti(1)-Sb(1) bond length. Cu(1) is bonded to four equivalent Ti(1) and four equivalent Sb(2) atoms to form distorted CuTi4Sb4 hexagonal bipyramids that share corners with four equivalent Cu(1)Ti4Sb4 hexagonal bipyramids, edges with four equivalent Sb(2)Ti4Cu4 hexagonal bipyramids, and faces with four equivalent Cu(1)Ti4Sb4 hexagonal bipyramids. All Cu(1)-Sb(2) bond lengths are 2.69 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to five equivalent Ti(1) atoms. In the second Sb site, Sb(2) is bonded to four equivalent Ti(1) and four equivalent Cu(1) atoms to form distorted SbTi4Cu4 hexagonal bipyramids that share corners with four equivalent Sb(2)Ti4Cu4 hexagonal bipyramids, edges with four equivalent Cu(1)Ti4Sb4 hexagonal bipyramids, and faces with four equivalent Sb(2)Ti4Cu4 hexagonal bipyramids.