CuSb2Ti5 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to two equivalent Cu(1) and four equivalent Sb(1) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to two equivalent Ti(2) and four equivalent Sb(1) atoms. Cu(1) is bonded in a 10-coordinate geometry to eight equivalent Ti(1) and two equivalent Cu(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Ti(2) and eight equivalent Ti(1) atoms.
CuSb2Ti5 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to two equivalent Cu(1) and four equivalent Sb(1) atoms. Both Ti(1)-Cu(1) bond lengths are 2.68 Å. There are a spread of Ti(1)-Sb(1) bond distances ranging from 2.78-3.01 Å. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to two equivalent Ti(2) and four equivalent Sb(1) atoms. Both Ti(2)-Ti(2) bond lengths are 2.56 Å. All Ti(2)-Sb(1) bond lengths are 2.73 Å. Cu(1) is bonded in a 10-coordinate geometry to eight equivalent Ti(1) and two equivalent Cu(1) atoms. Both Cu(1)-Cu(1) bond lengths are 2.56 Å. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Ti(2) and eight equivalent Ti(1) atoms.