CuAlCl4 crystallizes in the orthorhombic Pna2_1 space group. Cu(1) is bonded to one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom to form CuCl4 tetrahedra that share corners with four equivalent Al(1)Cl4 tetrahedra. Al(1) is bonded to one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom to form AlCl4 tetrahedra that share corners with four equivalent Cu(1)Cl4 tetrahedra. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one Al(1) atom. In the second Cl site, Cl(2) is bonded in a water-like geometry to one Cu(1) and one Al(1) atom. In the third Cl site, Cl(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one Al(1) atom. In the fourth Cl site, Cl(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one Al(1) atom.
CuAlCl4 crystallizes in the orthorhombic Pna2_1 space group. Cu(1) is bonded to one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom to form CuCl4 tetrahedra that share corners with four equivalent Al(1)Cl4 tetrahedra. The Cu(1)-Cl(1) bond length is 2.32 Å. The Cu(1)-Cl(2) bond length is 2.31 Å. The Cu(1)-Cl(3) bond length is 2.32 Å. The Cu(1)-Cl(4) bond length is 2.34 Å. Al(1) is bonded to one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom to form AlCl4 tetrahedra that share corners with four equivalent Cu(1)Cl4 tetrahedra. The Al(1)-Cl(1) bond length is 2.15 Å. The Al(1)-Cl(2) bond length is 2.15 Å. The Al(1)-Cl(3) bond length is 2.15 Å. The Al(1)-Cl(4) bond length is 2.15 Å. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one Al(1) atom. In the second Cl site, Cl(2) is bonded in a water-like geometry to one Cu(1) and one Al(1) atom. In the third Cl site, Cl(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one Al(1) atom. In the fourth Cl site, Cl(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one Al(1) atom.