IrCl3 is Aluminum trichloride-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to one Cl(1), one Cl(11), one Cl(12), one Cl(5), one Cl(6), and one Cl(9) atom to form edge-sharing IrCl6 octahedra. In the second Ir site, Ir(2) is bonded to one Cl(11), one Cl(12), one Cl(5), one Cl(7), one Cl(8), and one Cl(9) atom to form edge-sharing IrCl6 octahedra. In the third Ir site, Ir(3) is bonded to one Cl(10), one Cl(2), one Cl(3), one Cl(4), one Cl(7), and one Cl(8) atom to form edge-sharing IrCl6 octahedra. In the fourth Ir site, Ir(4) is bonded to one Cl(1), one Cl(10), one Cl(2), one Cl(3), one Cl(4), and one Cl(6) atom to form edge-sharing IrCl6 octahedra. There are twelve inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one Ir(1) and one Ir(4) atom. In the second Cl site, Cl(2) is bonded in an L-shaped geometry to one Ir(3) and one Ir(4) atom. In the third Cl site, Cl(3) is bonded in a water-like geometry to one Ir(3) and one Ir(4) atom. In the fourth Cl site, Cl(4) is bonded in an L-shaped geometry to one Ir(3) and one Ir(4) atom. In the fifth Cl site, Cl(5) is bonded in a water-like geometry to one Ir(1) and one Ir(2) atom. In the sixth Cl site, Cl(6) is bonded in an L-shaped geometry to one Ir(1) and one Ir(4) atom. In the seventh Cl site, Cl(7) is bonded in an L-shaped geometry to one Ir(2) and one Ir(3) atom. In the eighth Cl site, Cl(8) is bonded in a water-like geometry to one Ir(2) and one Ir(3) atom. In the ninth Cl site, Cl(9) is bonded in an L-shaped geometry to one Ir(1) and one Ir(2) atom. In the tenth Cl site, Cl(10) is bonded in a water-like geometry to one Ir(3) and one Ir(4) atom. In the eleventh Cl site, Cl(11) is bonded in an L-shaped geometry to one Ir(1) and one Ir(2) atom. In the twelfth Cl site, Cl(12) is bonded in a water-like geometry to one Ir(1) and one Ir(2) atom.
IrCl3 is Aluminum trichloride-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to one Cl(1), one Cl(11), one Cl(12), one Cl(5), one Cl(6), and one Cl(9) atom to form edge-sharing IrCl6 octahedra. The Ir(1)-Cl(1) bond length is 2.38 Å. The Ir(1)-Cl(11) bond length is 2.44 Å. The Ir(1)-Cl(12) bond length is 2.42 Å. The Ir(1)-Cl(5) bond length is 2.35 Å. The Ir(1)-Cl(6) bond length is 2.35 Å. The Ir(1)-Cl(9) bond length is 2.44 Å. In the second Ir site, Ir(2) is bonded to one Cl(11), one Cl(12), one Cl(5), one Cl(7), one Cl(8), and one Cl(9) atom to form edge-sharing IrCl6 octahedra. The Ir(2)-Cl(11) bond length is 2.41 Å. The Ir(2)-Cl(12) bond length is 2.39 Å. The Ir(2)-Cl(5) bond length is 2.37 Å. The Ir(2)-Cl(7) bond length is 2.35 Å. The Ir(2)-Cl(8) bond length is 2.30 Å. The Ir(2)-Cl(9) bond length is 2.43 Å. In the third Ir site, Ir(3) is bonded to one Cl(10), one Cl(2), one Cl(3), one Cl(4), one Cl(7), and one Cl(8) atom to form edge-sharing IrCl6 octahedra. The Ir(3)-Cl(10) bond length is 2.34 Å. The Ir(3)-Cl(2) bond length is 2.37 Å. The Ir(3)-Cl(3) bond length is 2.32 Å. The Ir(3)-Cl(4) bond length is 2.38 Å. The Ir(3)-Cl(7) bond length is 2.43 Å. The Ir(3)-Cl(8) bond length is 2.43 Å. In the fourth Ir site, Ir(4) is bonded to one Cl(1), one Cl(10), one Cl(2), one Cl(3), one Cl(4), and one Cl(6) atom to form edge-sharing IrCl6 octahedra. The Ir(4)-Cl(1) bond length is 2.38 Å. The Ir(4)-Cl(10) bond length is 2.34 Å. The Ir(4)-Cl(2) bond length is 2.46 Å. The Ir(4)-Cl(3) bond length is 2.38 Å. The Ir(4)-Cl(4) bond length is 2.41 Å. The Ir(4)-Cl(6) bond length is 2.36 Å. There are twelve inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one Ir(1) and one Ir(4) atom. In the second Cl site, Cl(2) is bonded in an L-shaped geometry to one Ir(3) and one Ir(4) atom. In the third Cl site, Cl(3) is bonded in a water-like geometry to one Ir(3) and one Ir(4) atom. In the fourth Cl site, Cl(4) is bonded in an L-shaped geometry to one Ir(3) and one Ir(4) atom. In the fifth Cl site, Cl(5) is bonded in a water-like geometry to one Ir(1) and one Ir(2) atom. In the sixth Cl site, Cl(6) is bonded in an L-shaped geometry to one Ir(1) and one Ir(4) atom. In the seventh Cl site, Cl(7) is bonded in an L-shaped geometry to one Ir(2) and one Ir(3) atom. In the eighth Cl site, Cl(8) is bonded in a water-like geometry to one Ir(2) and one Ir(3) atom. In the ninth Cl site, Cl(9) is bonded in an L-shaped geometry to one Ir(1) and one Ir(2) atom. In the tenth Cl site, Cl(10) is bonded in a water-like geometry to one Ir(3) and one Ir(4) atom. In the eleventh Cl site, Cl(11) is bonded in an L-shaped geometry to one Ir(1) and one Ir(2) atom. In the twelfth Cl site, Cl(12) is bonded in a water-like geometry to one Ir(1) and one Ir(2) atom.