Zr5Ir3 crystallizes in the hexagonal P6_122 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent Ir(2) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to two equivalent Ir(2) and four equivalent Ir(1) atoms. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to one Ir(2) and four equivalent Ir(1) atoms. In the fourth Zr site, Zr(4) is bonded in a 6-coordinate geometry to two equivalent Ir(2) and four equivalent Ir(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(2) is bonded in a 9-coordinate geometry to one Zr(3), two equivalent Zr(2), two equivalent Zr(4), and four equivalent Zr(1) atoms. In the second Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(3), and two equivalent Zr(4) atoms.
Zr5Ir3 crystallizes in the hexagonal P6_122 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent Ir(2) atoms. Both Zr(1)-Ir(1) bond lengths are 2.88 Å. There is one shorter (2.71 Å) and one longer (2.97 Å) Zr(1)-Ir(2) bond length. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to two equivalent Ir(2) and four equivalent Ir(1) atoms. Both Zr(2)-Ir(2) bond lengths are 2.97 Å. There are two shorter (2.79 Å) and two longer (2.81 Å) Zr(2)-Ir(1) bond lengths. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to one Ir(2) and four equivalent Ir(1) atoms. The Zr(3)-Ir(2) bond length is 2.91 Å. There are two shorter (2.74 Å) and two longer (2.75 Å) Zr(3)-Ir(1) bond lengths. In the fourth Zr site, Zr(4) is bonded in a 6-coordinate geometry to two equivalent Ir(2) and four equivalent Ir(1) atoms. Both Zr(4)-Ir(2) bond lengths are 2.99 Å. There are two shorter (2.72 Å) and two longer (2.93 Å) Zr(4)-Ir(1) bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir(2) is bonded in a 9-coordinate geometry to one Zr(3), two equivalent Zr(2), two equivalent Zr(4), and four equivalent Zr(1) atoms. In the second Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(3), and two equivalent Zr(4) atoms.