Ti3Ir2 crystallizes in the tetragonal P4/mmm space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 4-coordinate geometry to four equivalent Ti(4) and four equivalent Ir(1) atoms. In the second Ti site, Ti(2) is bonded in a body-centered cubic geometry to four equivalent Ir(1) and four equivalent Ir(2) atoms. In the third Ti site, Ti(3) is bonded in a body-centered cubic geometry to eight equivalent Ir(2) atoms. In the fourth Ti site, Ti(4) is bonded in a 14-coordinate geometry to four equivalent Ti(4), eight equivalent Ti(1), and two equivalent Ir(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a body-centered cubic geometry to one Ti(4), four equivalent Ti(1), and four equivalent Ti(2) atoms. In the second Ir site, Ir(2) is bonded in a body-centered cubic geometry to four equivalent Ti(2) and four equivalent Ti(3) atoms.
Ti3Ir2 crystallizes in the tetragonal P4/mmm space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 4-coordinate geometry to four equivalent Ti(4) and four equivalent Ir(1) atoms. All Ti(1)-Ti(4) bond lengths are 2.78 Å. All Ti(1)-Ir(1) bond lengths are 2.71 Å. In the second Ti site, Ti(2) is bonded in a body-centered cubic geometry to four equivalent Ir(1) and four equivalent Ir(2) atoms. All Ti(2)-Ir(1) bond lengths are 2.69 Å. All Ti(2)-Ir(2) bond lengths are 2.69 Å. In the third Ti site, Ti(3) is bonded in a body-centered cubic geometry to eight equivalent Ir(2) atoms. All Ti(3)-Ir(2) bond lengths are 2.72 Å. In the fourth Ti site, Ti(4) is bonded in a 14-coordinate geometry to four equivalent Ti(4), eight equivalent Ti(1), and two equivalent Ir(1) atoms. All Ti(4)-Ti(4) bond lengths are 3.11 Å. Both Ti(4)-Ir(1) bond lengths are 3.29 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a body-centered cubic geometry to one Ti(4), four equivalent Ti(1), and four equivalent Ti(2) atoms. In the second Ir site, Ir(2) is bonded in a body-centered cubic geometry to four equivalent Ti(2) and four equivalent Ti(3) atoms.