Ba12F19Cl5 crystallizes in the hexagonal P-62m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to four equivalent Cl(1), one F(5), two equivalent F(1), and two equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent Cl(2), one F(4), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to two equivalent Cl(1), one F(3), two equivalent F(1), and four equivalent F(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent Ba(3) and four equivalent Ba(1) atoms to form distorted ClBa6 pentagonal pyramids that share corners with four equivalent Cl(1)Ba6 pentagonal pyramids, corners with two equivalent F(3)Ba5 square pyramids, corners with four equivalent F(1)Ba4 tetrahedra, corners with four equivalent F(2)Ba4 tetrahedra, corners with four equivalent F(4)Ba4 tetrahedra, edges with two equivalent Cl(1)Ba6 pentagonal pyramids, edges with two equivalent F(2)Ba4 tetrahedra, edges with two equivalent F(4)Ba4 tetrahedra, edges with four equivalent F(1)Ba4 tetrahedra, and faces with two equivalent Cl(1)Ba6 pentagonal pyramids. In the second Cl site, Cl(2) is bonded to six equivalent Ba(2) atoms to form distorted ClBa6 pentagonal pyramids that share corners with six equivalent F(3)Ba5 square pyramids, corners with six equivalent F(1)Ba4 tetrahedra, corners with six equivalent F(4)Ba4 tetrahedra, edges with three equivalent F(3)Ba5 square pyramids, edges with three equivalent F(1)Ba4 tetrahedra, edges with six equivalent F(2)Ba4 tetrahedra, and faces with two equivalent Cl(2)Ba6 pentagonal pyramids. There are five inequivalent F sites. In the first F site, F(5) is bonded in a trigonal planar geometry to three equivalent Ba(1) atoms. In the second F site, F(1) is bonded to one Ba(1), one Ba(3), and two equivalent Ba(2) atoms to form FBa4 tetrahedra that share corners with two equivalent Cl(1)Ba6 pentagonal pyramids, corners with two equivalent Cl(2)Ba6 pentagonal pyramids, corners with three equivalent F(3)Ba5 square pyramids, corners with four equivalent F(1)Ba4 tetrahedra, corners with four equivalent F(2)Ba4 tetrahedra,  an edgeedge with one Cl(2)Ba6 pentagonal pyramid, edges with two equivalent Cl(1)Ba6 pentagonal pyramids,  an edgeedge with one F(3)Ba5 square pyramid, edges with two equivalent F(2)Ba4 tetrahedra, and edges with two equivalent F(4)Ba4 tetrahedra. In the third F site, F(2) is bonded to two equivalent Ba(2) and two equivalent Ba(3) atoms to form FBa4 tetrahedra that share corners with two equivalent Cl(1)Ba6 pentagonal pyramids, corners with two equivalent F(3)Ba5 square pyramids, corners with two equivalent F(4)Ba4 tetrahedra, corners with four equivalent F(1)Ba4 tetrahedra, corners with six equivalent F(2)Ba4 tetrahedra,  an edgeedge with one Cl(1)Ba6 pentagonal pyramid, edges with two equivalent Cl(2)Ba6 pentagonal pyramids, edges with two equivalent F(3)Ba5 square pyramids,  an edgeedge with one F(2)Ba4 tetrahedra, and edges with two equivalent F(1)Ba4 tetrahedra. In the fourth F site, F(3) is bonded to one Ba(3) and four equivalent Ba(2) atoms to form distorted FBa5 square pyramids that share corners with two equivalent Cl(1)Ba6 pentagonal pyramids, corners with four equivalent Cl(2)Ba6 pentagonal pyramids, corners with four equivalent F(2)Ba4 tetrahedra, corners with six equivalent F(1)Ba4 tetrahedra, edges with two equivalent Cl(2)Ba6 pentagonal pyramids, edges with two equivalent F(3)Ba5 square pyramids, edges with two equivalent F(1)Ba4 tetrahedra, edges with two equivalent F(4)Ba4 tetrahedra, and edges with four equivalent F(2)Ba4 tetrahedra. In the fifth F site, F(4) is bonded to two equivalent Ba(1) and two equivalent Ba(2) atoms to form FBa4 tetrahedra that share corners with four equivalent Cl(1)Ba6 pentagonal pyramids, corners with four equivalent Cl(2)Ba6 pentagonal pyramids, corners with two equivalent F(4)Ba4 tetrahedra, corners with four equivalent F(2)Ba4 tetrahedra, edges with two equivalent Cl(1)Ba6 pentagonal pyramids, edges with two equivalent F(3)Ba5 square pyramids, and edges with four equivalent F(1)Ba4 tetrahedra.
Ba12F19Cl5 crystallizes in the hexagonal P-62m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to four equivalent Cl(1), one F(5), two equivalent F(1), and two equivalent F(4) atoms. All Ba(1)-Cl(1) bond lengths are 3.37 Å. The Ba(1)-F(5) bond length is 2.52 Å. Both Ba(1)-F(1) bond lengths are 2.70 Å. Both Ba(1)-F(4) bond lengths are 2.58 Å. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent Cl(2), one F(4), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Both Ba(2)-Cl(2) bond lengths are 3.33 Å. The Ba(2)-F(4) bond length is 2.59 Å. Both Ba(2)-F(1) bond lengths are 2.64 Å. There is one shorter (2.63 Å) and one longer (2.69 Å) Ba(2)-F(2) bond length. Both Ba(2)-F(3) bond lengths are 3.03 Å. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to two equivalent Cl(1), one F(3), two equivalent F(1), and four equivalent F(2) atoms. Both Ba(3)-Cl(1) bond lengths are 3.38 Å. The Ba(3)-F(3) bond length is 2.67 Å. Both Ba(3)-F(1) bond lengths are 2.71 Å. All Ba(3)-F(2) bond lengths are 2.74 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent Ba(3) and four equivalent Ba(1) atoms to form distorted ClBa6 pentagonal pyramids that share corners with four equivalent Cl(1)Ba6 pentagonal pyramids, corners with two equivalent F(3)Ba5 square pyramids, corners with four equivalent F(1)Ba4 tetrahedra, corners with four equivalent F(2)Ba4 tetrahedra, corners with four equivalent F(4)Ba4 tetrahedra, edges with two equivalent Cl(1)Ba6 pentagonal pyramids, edges with two equivalent F(2)Ba4 tetrahedra, edges with two equivalent F(4)Ba4 tetrahedra, edges with four equivalent F(1)Ba4 tetrahedra, and faces with two equivalent Cl(1)Ba6 pentagonal pyramids. In the second Cl site, Cl(2) is bonded to six equivalent Ba(2) atoms to form distorted ClBa6 pentagonal pyramids that share corners with six equivalent F(3)Ba5 square pyramids, corners with six equivalent F(1)Ba4 tetrahedra, corners with six equivalent F(4)Ba4 tetrahedra, edges with three equivalent F(3)Ba5 square pyramids, edges with three equivalent F(1)Ba4 tetrahedra, edges with six equivalent F(2)Ba4 tetrahedra, and faces with two equivalent Cl(2)Ba6 pentagonal pyramids. There are five inequivalent F sites. In the first F site, F(5) is bonded in a trigonal planar geometry to three equivalent Ba(1) atoms. In the second F site, F(1) is bonded to one Ba(1), one Ba(3), and two equivalent Ba(2) atoms to form FBa4 tetrahedra that share corners with two equivalent Cl(1)Ba6 pentagonal pyramids, corners with two equivalent Cl(2)Ba6 pentagonal pyramids, corners with three equivalent F(3)Ba5 square pyramids, corners with four equivalent F(1)Ba4 tetrahedra, corners with four equivalent F(2)Ba4 tetrahedra,  an edgeedge with one Cl(2)Ba6 pentagonal pyramid, edges with two equivalent Cl(1)Ba6 pentagonal pyramids,  an edgeedge with one F(3)Ba5 square pyramid, edges with two equivalent F(2)Ba4 tetrahedra, and edges with two equivalent F(4)Ba4 tetrahedra. In the third F site, F(2) is bonded to two equivalent Ba(2) and two equivalent Ba(3) atoms to form FBa4 tetrahedra that share corners with two equivalent Cl(1)Ba6 pentagonal pyramids, corners with two equivalent F(3)Ba5 square pyramids, corners with two equivalent F(4)Ba4 tetrahedra, corners with four equivalent F(1)Ba4 tetrahedra, corners with six equivalent F(2)Ba4 tetrahedra,  an edgeedge with one Cl(1)Ba6 pentagonal pyramid, edges with two equivalent Cl(2)Ba6 pentagonal pyramids, edges with two equivalent F(3)Ba5 square pyramids,  an edgeedge with one F(2)Ba4 tetrahedra, and edges with two equivalent F(1)Ba4 tetrahedra. In the fourth F site, F(3) is bonded to one Ba(3) and four equivalent Ba(2) atoms to form distorted FBa5 square pyramids that share corners with two equivalent Cl(1)Ba6 pentagonal pyramids, corners with four equivalent Cl(2)Ba6 pentagonal pyramids, corners with four equivalent F(2)Ba4 tetrahedra, corners with six equivalent F(1)Ba4 tetrahedra, edges with two equivalent Cl(2)Ba6 pentagonal pyramids, edges with two equivalent F(3)Ba5 square pyramids, edges with two equivalent F(1)Ba4 tetrahedra, edges with two equivalent F(4)Ba4 tetrahedra, and edges with four equivalent F(2)Ba4 tetrahedra. In the fifth F site, F(4) is bonded to two equivalent Ba(1) and two equivalent Ba(2) atoms to form FBa4 tetrahedra that share corners with four equivalent Cl(1)Ba6 pentagonal pyramids, corners with four equivalent Cl(2)Ba6 pentagonal pyramids, corners with two equivalent F(4)Ba4 tetrahedra, corners with four equivalent F(2)Ba4 tetrahedra, edges with two equivalent Cl(1)Ba6 pentagonal pyramids, edges with two equivalent F(3)Ba5 square pyramids, and edges with four equivalent F(1)Ba4 tetrahedra.