Ti4Pd crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 4-coordinate geometry to four equivalent Ti(2) and four equivalent Pd(1) atoms. In the second Ti site, Ti(2) is bonded to four equivalent Ti(1) and eight equivalent Ti(2) atoms to form a mixture of face, corner, and edge-sharing TiTi12 cuboctahedra. Pd(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ti(1) atoms.
Ti4Pd crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 4-coordinate geometry to four equivalent Ti(2) and four equivalent Pd(1) atoms. All Ti(1)-Ti(2) bond lengths are 2.83 Å. All Ti(1)-Pd(1) bond lengths are 2.77 Å. In the second Ti site, Ti(2) is bonded to four equivalent Ti(1) and eight equivalent Ti(2) atoms to form a mixture of face, corner, and edge-sharing TiTi12 cuboctahedra. There are four shorter (2.95 Å) and four longer (2.99 Å) Ti(2)-Ti(2) bond lengths. Pd(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ti(1) atoms.