BaCl2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent Cl(2) and six equivalent Cl(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to three equivalent Cl(1) and six equivalent Cl(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent Ba(1) and two equivalent Ba(2) atoms to form ClBa4 tetrahedra that share corners with six equivalent Cl(2)Ba5 square pyramids, corners with ten equivalent Cl(1)Ba4 tetrahedra, edges with six equivalent Cl(2)Ba5 square pyramids, and edges with two equivalent Cl(1)Ba4 tetrahedra. In the second Cl site, Cl(2) is bonded to one Ba(1) and four equivalent Ba(2) atoms to form distorted ClBa5 square pyramids that share corners with ten equivalent Cl(2)Ba5 square pyramids, corners with six equivalent Cl(1)Ba4 tetrahedra, edges with six equivalent Cl(2)Ba5 square pyramids, and edges with six equivalent Cl(1)Ba4 tetrahedra.
BaCl2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent Cl(2) and six equivalent Cl(1) atoms. All Ba(1)-Cl(2) bond lengths are 3.34 Å. All Ba(1)-Cl(1) bond lengths are 3.13 Å. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to three equivalent Cl(1) and six equivalent Cl(2) atoms. All Ba(2)-Cl(1) bond lengths are 3.08 Å. All Ba(2)-Cl(2) bond lengths are 3.40 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent Ba(1) and two equivalent Ba(2) atoms to form ClBa4 tetrahedra that share corners with six equivalent Cl(2)Ba5 square pyramids, corners with ten equivalent Cl(1)Ba4 tetrahedra, edges with six equivalent Cl(2)Ba5 square pyramids, and edges with two equivalent Cl(1)Ba4 tetrahedra. In the second Cl site, Cl(2) is bonded to one Ba(1) and four equivalent Ba(2) atoms to form distorted ClBa5 square pyramids that share corners with ten equivalent Cl(2)Ba5 square pyramids, corners with six equivalent Cl(1)Ba4 tetrahedra, edges with six equivalent Cl(2)Ba5 square pyramids, and edges with six equivalent Cl(1)Ba4 tetrahedra.