LiIr3 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 10-coordinate geometry to four equivalent Ir(2) and six equivalent Ir(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 3-coordinate geometry to three equivalent Li(1) atoms. In the second Ir site, Ir(2) is bonded in a 4-coordinate geometry to four equivalent Li(1) atoms.
LiIr3 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 10-coordinate geometry to four equivalent Ir(2) and six equivalent Ir(1) atoms. There are a spread of Li(1)-Ir(2) bond distances ranging from 2.63-2.76 Å. There are two shorter (2.58 Å) and four longer (2.76 Å) Li(1)-Ir(1) bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 3-coordinate geometry to three equivalent Li(1) atoms. In the second Ir site, Ir(2) is bonded in a 4-coordinate geometry to four equivalent Li(1) atoms.