ZnCl2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one Cl(1), one Cl(3), one Cl(5), and one Cl(6) atom to form corner-sharing ZnCl4 tetrahedra. In the second Zn site, Zn(2) is bonded to one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom to form corner-sharing ZnCl4 tetrahedra. In the third Zn site, Zn(3) is bonded to one Cl(2), one Cl(4), one Cl(5), and one Cl(6) atom to form corner-sharing ZnCl4 tetrahedra. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to one Zn(1) and one Zn(2) atom. In the second Cl site, Cl(2) is bonded in a water-like geometry to one Zn(2) and one Zn(3) atom. In the third Cl site, Cl(3) is bonded in a water-like geometry to one Zn(1) and one Zn(2) atom. In the fourth Cl site, Cl(4) is bonded in a bent 120 degrees geometry to one Zn(2) and one Zn(3) atom. In the fifth Cl site, Cl(5) is bonded in a water-like geometry to one Zn(1) and one Zn(3) atom. In the sixth Cl site, Cl(6) is bonded in a water-like geometry to one Zn(1) and one Zn(3) atom.
ZnCl2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one Cl(1), one Cl(3), one Cl(5), and one Cl(6) atom to form corner-sharing ZnCl4 tetrahedra. The Zn(1)-Cl(1) bond length is 2.28 Å. The Zn(1)-Cl(3) bond length is 2.27 Å. The Zn(1)-Cl(5) bond length is 2.28 Å. The Zn(1)-Cl(6) bond length is 2.28 Å. In the second Zn site, Zn(2) is bonded to one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom to form corner-sharing ZnCl4 tetrahedra. The Zn(2)-Cl(1) bond length is 2.27 Å. The Zn(2)-Cl(2) bond length is 2.28 Å. The Zn(2)-Cl(3) bond length is 2.28 Å. The Zn(2)-Cl(4) bond length is 2.27 Å. In the third Zn site, Zn(3) is bonded to one Cl(2), one Cl(4), one Cl(5), and one Cl(6) atom to form corner-sharing ZnCl4 tetrahedra. The Zn(3)-Cl(2) bond length is 2.27 Å. The Zn(3)-Cl(4) bond length is 2.28 Å. The Zn(3)-Cl(5) bond length is 2.27 Å. The Zn(3)-Cl(6) bond length is 2.28 Å. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to one Zn(1) and one Zn(2) atom. In the second Cl site, Cl(2) is bonded in a water-like geometry to one Zn(2) and one Zn(3) atom. In the third Cl site, Cl(3) is bonded in a water-like geometry to one Zn(1) and one Zn(2) atom. In the fourth Cl site, Cl(4) is bonded in a bent 120 degrees geometry to one Zn(2) and one Zn(3) atom. In the fifth Cl site, Cl(5) is bonded in a water-like geometry to one Zn(1) and one Zn(3) atom. In the sixth Cl site, Cl(6) is bonded in a water-like geometry to one Zn(1) and one Zn(3) atom.