Mg2TiIr5B2 crystallizes in the tetragonal P4/mbm space group. Mg(1) is bonded in a 11-coordinate geometry to two equivalent Ir(1), eight equivalent Ir(2), and three equivalent B(1) atoms. Ti(1) is bonded in a body-centered cubic geometry to eight equivalent Ir(2) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent B(1) atoms. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to four equivalent Mg(1), two equivalent Ti(1), and two equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to three equivalent Mg(1), two equivalent Ir(1), and four equivalent Ir(2) atoms.
Mg2TiIr5B2 crystallizes in the tetragonal P4/mbm space group. Mg(1) is bonded in a 11-coordinate geometry to two equivalent Ir(1), eight equivalent Ir(2), and three equivalent B(1) atoms. Both Mg(1)-Ir(1) bond lengths are 2.80 Å. There are four shorter (2.84 Å) and four longer (2.98 Å) Mg(1)-Ir(2) bond lengths. There is one shorter (2.70 Å) and two longer (2.90 Å) Mg(1)-B(1) bond lengths. Ti(1) is bonded in a body-centered cubic geometry to eight equivalent Ir(2) atoms. All Ti(1)-Ir(2) bond lengths are 2.62 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent B(1) atoms. All Ir(1)-B(1) bond lengths are 2.23 Å. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to four equivalent Mg(1), two equivalent Ti(1), and two equivalent B(1) atoms. Both Ir(2)-B(1) bond lengths are 2.19 Å. B(1) is bonded in a 9-coordinate geometry to three equivalent Mg(1), two equivalent Ir(1), and four equivalent Ir(2) atoms.