Ba12Br3Cl2F19 crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to two equivalent Cl(1), one F(1), one F(2), one F(4), two equivalent F(10), and two equivalent F(9) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to two equivalent Br(1), one F(5), two equivalent F(3), and four equivalent F(11) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to four equivalent Cl(1), one F(6), two equivalent F(2), and two equivalent F(8) atoms. In the fourth Ba site, Ba(4) is bonded in a 5-coordinate geometry to two equivalent Br(1), two equivalent Cl(1), one F(1), one F(3), one F(6), and two equivalent F(7) atoms. In the fifth Ba site, Ba(5) is bonded in a 9-coordinate geometry to two equivalent Br(2), one F(10), one F(7), one F(9), two equivalent F(1), and two equivalent F(4) atoms. In the sixth Ba site, Ba(6) is bonded in a 9-coordinate geometry to two equivalent Br(2), one F(10), one F(11), one F(8), two equivalent F(2), and two equivalent F(5) atoms. In the seventh Ba site, Ba(7) is bonded in a 9-coordinate geometry to two equivalent Br(2), one F(11), one F(7), one F(9), two equivalent F(3), and two equivalent F(4) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to two equivalent Ba(2) and four equivalent Ba(4) atoms to form distorted BrBa6 pentagonal pyramids that share corners with four equivalent Cl(1)Ba6 pentagonal pyramids, corners with four equivalent F(1)Ba4 tetrahedra, corners with four equivalent F(11)Ba4 tetrahedra, corners with four equivalent F(7)Ba4 tetrahedra, edges with two equivalent Cl(1)Ba6 pentagonal pyramids, edges with two equivalent F(11)Ba4 tetrahedra, edges with two equivalent F(7)Ba4 tetrahedra, edges with four equivalent F(3)Ba4 tetrahedra, and faces with two equivalent Br(1)Ba6 pentagonal pyramids. In the second Br site, Br(2) is bonded to two equivalent Ba(5), two equivalent Ba(6), and two equivalent Ba(7) atoms to form distorted BrBa6 pentagonal pyramids that share corners with two equivalent F(1)Ba4 tetrahedra, corners with two equivalent F(2)Ba4 tetrahedra, corners with two equivalent F(3)Ba4 tetrahedra, corners with two equivalent F(8)Ba4 tetrahedra, corners with four equivalent F(7)Ba4 tetrahedra,  an edgeedge with one F(1)Ba4 tetrahedra,  an edgeedge with one F(2)Ba4 tetrahedra,  an edgeedge with one F(3)Ba4 tetrahedra, edges with two equivalent F(10)Ba4 tetrahedra, edges with two equivalent F(11)Ba4 tetrahedra, edges with two equivalent F(9)Ba4 tetrahedra, and faces with two equivalent Br(2)Ba6 pentagonal pyramids. Cl(1) is bonded to two equivalent Ba(1), two equivalent Ba(3), and two equivalent Ba(4) atoms to form distorted ClBa6 pentagonal pyramids that share corners with two equivalent Br(1)Ba6 pentagonal pyramids, corners with two equivalent Cl(1)Ba6 pentagonal pyramids, corners with two equivalent F(10)Ba4 tetrahedra, corners with two equivalent F(2)Ba4 tetrahedra, corners with two equivalent F(3)Ba4 tetrahedra, corners with two equivalent F(7)Ba4 tetrahedra, corners with two equivalent F(8)Ba4 tetrahedra, corners with two equivalent F(9)Ba4 tetrahedra,  an edgeedge with one Br(1)Ba6 pentagonal pyramid,  an edgeedge with one Cl(1)Ba6 pentagonal pyramid,  an edgeedge with one F(10)Ba4 tetrahedra,  an edgeedge with one F(7)Ba4 tetrahedra,  an edgeedge with one F(8)Ba4 tetrahedra,  an edgeedge with one F(9)Ba4 tetrahedra, edges with two equivalent F(1)Ba4 tetrahedra, edges with two equivalent F(2)Ba4 tetrahedra, and faces with two equivalent Cl(1)Ba6 pentagonal pyramids. There are eleven inequivalent F sites. In the first F site, F(1) is bonded to one Ba(1), one Ba(4), and two equivalent Ba(5) atoms to form FBa4 tetrahedra that share corners with two equivalent Br(1)Ba6 pentagonal pyramids, corners with two equivalent Br(2)Ba6 pentagonal pyramids,  a cornercorner with one F(2)Ba4 tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra, corners with two equivalent F(1)Ba4 tetrahedra, corners with four equivalent F(10)Ba4 tetrahedra,  an edgeedge with one Br(2)Ba6 pentagonal pyramid, edges with two equivalent Cl(1)Ba6 pentagonal pyramids, edges with two equivalent F(7)Ba4 tetrahedra, and edges with two equivalent F(9)Ba4 tetrahedra. In the second F site, F(2) is bonded to one Ba(1), one Ba(3), and two equivalent Ba(6) atoms to form FBa4 tetrahedra that share corners with two equivalent Br(2)Ba6 pentagonal pyramids, corners with two equivalent Cl(1)Ba6 pentagonal pyramids,  a cornercorner with one F(1)Ba4 tetrahedra, corners with two equivalent F(11)Ba4 tetrahedra, corners with two equivalent F(9)Ba4 tetrahedra, corners with three equivalent F(2)Ba4 tetrahedra,  an edgeedge with one Br(2)Ba6 pentagonal pyramid, edges with two equivalent Cl(1)Ba6 pentagonal pyramids, edges with two equivalent F(10)Ba4 tetrahedra, and edges with two equivalent F(8)Ba4 tetrahedra. In the third F site, F(3) is bonded to one Ba(2), one Ba(4), and two equivalent Ba(7) atoms to form FBa4 tetrahedra that share corners with two equivalent Br(2)Ba6 pentagonal pyramids, corners with two equivalent Cl(1)Ba6 pentagonal pyramids,  a cornercorner with one F(1)Ba4 tetrahedra, corners with two equivalent F(11)Ba4 tetrahedra, corners with two equivalent F(9)Ba4 tetrahedra, corners with three equivalent F(3)Ba4 tetrahedra,  an edgeedge with one Br(2)Ba6 pentagonal pyramid, edges with two equivalent Br(1)Ba6 pentagonal pyramids, edges with two equivalent F(11)Ba4 tetrahedra, and edges with two equivalent F(7)Ba4 tetrahedra. In the fourth F site, F(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(5), and two equivalent Ba(7) atoms. In the fifth F site, F(5) is bonded in a 5-coordinate geometry to one Ba(2) and four equivalent Ba(6) atoms. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Ba(3) and two equivalent Ba(4) atoms. In the seventh F site, F(7) is bonded to one Ba(5), one Ba(7), and two equivalent Ba(4) atoms to form FBa4 tetrahedra that share corners with two equivalent Br(1)Ba6 pentagonal pyramids, corners with two equivalent Cl(1)Ba6 pentagonal pyramids, corners with four equivalent Br(2)Ba6 pentagonal pyramids,  a cornercorner with one F(10)Ba4 tetrahedra,  a cornercorner with one F(11)Ba4 tetrahedra, corners with two equivalent F(7)Ba4 tetrahedra, corners with two equivalent F(9)Ba4 tetrahedra,  an edgeedge with one Br(1)Ba6 pentagonal pyramid,  an edgeedge with one Cl(1)Ba6 pentagonal pyramid, edges with two equivalent F(1)Ba4 tetrahedra, and edges with two equivalent F(3)Ba4 tetrahedra. In the eighth F site, F(8) is bonded to two equivalent Ba(3) and two equivalent Ba(6) atoms to form FBa4 tetrahedra that share corners with four equivalent Br(2)Ba6 pentagonal pyramids, corners with four equivalent Cl(1)Ba6 pentagonal pyramids, corners with two equivalent F(10)Ba4 tetrahedra, corners with two equivalent F(11)Ba4 tetrahedra, corners with two equivalent F(8)Ba4 tetrahedra, edges with two equivalent Cl(1)Ba6 pentagonal pyramids, and edges with four equivalent F(2)Ba4 tetrahedra. In the ninth F site, F(9) is bonded to one Ba(5), one Ba(7), and two equivalent Ba(1) atoms to form FBa4 tetrahedra that share corners with two equivalent Cl(1)Ba6 pentagonal pyramids,  a cornercorner with one F(11)Ba4 tetrahedra, corners with two equivalent F(2)Ba4 tetrahedra, corners with two equivalent F(3)Ba4 tetrahedra, corners with two equivalent F(7)Ba4 tetrahedra, corners with two equivalent F(9)Ba4 tetrahedra, corners with three equivalent F(10)Ba4 tetrahedra,  an edgeedge with one Cl(1)Ba6 pentagonal pyramid, edges with two equivalent Br(2)Ba6 pentagonal pyramids,  an edgeedge with one F(10)Ba4 tetrahedra, and edges with two equivalent F(1)Ba4 tetrahedra. In the tenth F site, F(10) is bonded to one Ba(5), one Ba(6), and two equivalent Ba(1) atoms to form FBa4 tetrahedra that share corners with two equivalent Cl(1)Ba6 pentagonal pyramids,  a cornercorner with one F(11)Ba4 tetrahedra,  a cornercorner with one F(7)Ba4 tetrahedra,  a cornercorner with one F(8)Ba4 tetrahedra, corners with two equivalent F(10)Ba4 tetrahedra, corners with three equivalent F(9)Ba4 tetrahedra, corners with four equivalent F(1)Ba4 tetrahedra,  an edgeedge with one Cl(1)Ba6 pentagonal pyramid, edges with two equivalent Br(2)Ba6 pentagonal pyramids,  an edgeedge with one F(9)Ba4 tetrahedra, and edges with two equivalent F(2)Ba4 tetrahedra. In the eleventh F site, F(11) is bonded to one Ba(6), one Ba(7), and two equivalent Ba(2) atoms to form FBa4 tetrahedra that share corners with two equivalent Br(1)Ba6 pentagonal pyramids,  a cornercorner with one F(10)Ba4 tetrahedra,  a cornercorner with one F(7)Ba4 tetrahedra,  a cornercorner with one F(8)Ba4 tetrahedra,  a cornercorner with one F(9)Ba4 tetrahedra, corners with two equivalent F(2)Ba4 tetrahedra, corners with two equivalent F(3)Ba4 tetrahedra, corners with four equivalent F(11)Ba4 tetrahedra,  an edgeedge with one Br(1)Ba6 pentagonal pyramid, edges with two equivalent Br(2)Ba6 pentagonal pyramids,  an edgeedge with one F(11)Ba4 tetrahedra, and edges with two equivalent F(3)Ba4 tetrahedra.
Ba12Br3Cl2F19 crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to two equivalent Cl(1), one F(1), one F(2), one F(4), two equivalent F(10), and two equivalent F(9) atoms. Both Ba(1)-Cl(1) bond lengths are 3.48 Å. The Ba(1)-F(1) bond length is 2.77 Å. The Ba(1)-F(2) bond length is 2.77 Å. The Ba(1)-F(4) bond length is 2.69 Å. Both Ba(1)-F(10) bond lengths are 2.78 Å. Both Ba(1)-F(9) bond lengths are 2.78 Å. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to two equivalent Br(1), one F(5), two equivalent F(3), and four equivalent F(11) atoms. Both Ba(2)-Br(1) bond lengths are 3.50 Å. The Ba(2)-F(5) bond length is 2.66 Å. Both Ba(2)-F(3) bond lengths are 2.79 Å. All Ba(2)-F(11) bond lengths are 2.78 Å. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to four equivalent Cl(1), one F(6), two equivalent F(2), and two equivalent F(8) atoms. All Ba(3)-Cl(1) bond lengths are 3.44 Å. The Ba(3)-F(6) bond length is 2.55 Å. Both Ba(3)-F(2) bond lengths are 2.75 Å. Both Ba(3)-F(8) bond lengths are 2.62 Å. In the fourth Ba site, Ba(4) is bonded in a 5-coordinate geometry to two equivalent Br(1), two equivalent Cl(1), one F(1), one F(3), one F(6), and two equivalent F(7) atoms. Both Ba(4)-Br(1) bond lengths are 3.47 Å. Both Ba(4)-Cl(1) bond lengths are 3.43 Å. The Ba(4)-F(1) bond length is 2.72 Å. The Ba(4)-F(3) bond length is 2.77 Å. The Ba(4)-F(6) bond length is 2.56 Å. Both Ba(4)-F(7) bond lengths are 2.62 Å. In the fifth Ba site, Ba(5) is bonded in a 9-coordinate geometry to two equivalent Br(2), one F(10), one F(7), one F(9), two equivalent F(1), and two equivalent F(4) atoms. Both Ba(5)-Br(2) bond lengths are 3.42 Å. The Ba(5)-F(10) bond length is 2.69 Å. The Ba(5)-F(7) bond length is 2.61 Å. The Ba(5)-F(9) bond length is 2.74 Å. Both Ba(5)-F(1) bond lengths are 2.67 Å. Both Ba(5)-F(4) bond lengths are 3.10 Å. In the sixth Ba site, Ba(6) is bonded in a 9-coordinate geometry to two equivalent Br(2), one F(10), one F(11), one F(8), two equivalent F(2), and two equivalent F(5) atoms. Both Ba(6)-Br(2) bond lengths are 3.42 Å. The Ba(6)-F(10) bond length is 2.74 Å. The Ba(6)-F(11) bond length is 2.68 Å. The Ba(6)-F(8) bond length is 2.62 Å. Both Ba(6)-F(2) bond lengths are 2.67 Å. Both Ba(6)-F(5) bond lengths are 3.10 Å. In the seventh Ba site, Ba(7) is bonded in a 9-coordinate geometry to two equivalent Br(2), one F(11), one F(7), one F(9), two equivalent F(3), and two equivalent F(4) atoms. Both Ba(7)-Br(2) bond lengths are 3.42 Å. The Ba(7)-F(11) bond length is 2.74 Å. The Ba(7)-F(7) bond length is 2.61 Å. The Ba(7)-F(9) bond length is 2.69 Å. Both Ba(7)-F(3) bond lengths are 2.67 Å. Both Ba(7)-F(4) bond lengths are 3.10 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to two equivalent Ba(2) and four equivalent Ba(4) atoms to form distorted BrBa6 pentagonal pyramids that share corners with four equivalent Cl(1)Ba6 pentagonal pyramids, corners with four equivalent F(1)Ba4 tetrahedra, corners with four equivalent F(11)Ba4 tetrahedra, corners with four equivalent F(7)Ba4 tetrahedra, edges with two equivalent Cl(1)Ba6 pentagonal pyramids, edges with two equivalent F(11)Ba4 tetrahedra, edges with two equivalent F(7)Ba4 tetrahedra, edges with four equivalent F(3)Ba4 tetrahedra, and faces with two equivalent Br(1)Ba6 pentagonal pyramids. In the second Br site, Br(2) is bonded to two equivalent Ba(5), two equivalent Ba(6), and two equivalent Ba(7) atoms to form distorted BrBa6 pentagonal pyramids that share corners with two equivalent F(1)Ba4 tetrahedra, corners with two equivalent F(2)Ba4 tetrahedra, corners with two equivalent F(3)Ba4 tetrahedra, corners with two equivalent F(8)Ba4 tetrahedra, corners with four equivalent F(7)Ba4 tetrahedra,  an edgeedge with one F(1)Ba4 tetrahedra,  an edgeedge with one F(2)Ba4 tetrahedra,  an edgeedge with one F(3)Ba4 tetrahedra, edges with two equivalent F(10)Ba4 tetrahedra, edges with two equivalent F(11)Ba4 tetrahedra, edges with two equivalent F(9)Ba4 tetrahedra, and faces with two equivalent Br(2)Ba6 pentagonal pyramids. Cl(1) is bonded to two equivalent Ba(1), two equivalent Ba(3), and two equivalent Ba(4) atoms to form distorted ClBa6 pentagonal pyramids that share corners with two equivalent Br(1)Ba6 pentagonal pyramids, corners with two equivalent Cl(1)Ba6 pentagonal pyramids, corners with two equivalent F(10)Ba4 tetrahedra, corners with two equivalent F(2)Ba4 tetrahedra, corners with two equivalent F(3)Ba4 tetrahedra, corners with two equivalent F(7)Ba4 tetrahedra, corners with two equivalent F(8)Ba4 tetrahedra, corners with two equivalent F(9)Ba4 tetrahedra,  an edgeedge with one Br(1)Ba6 pentagonal pyramid,  an edgeedge with one Cl(1)Ba6 pentagonal pyramid,  an edgeedge with one F(10)Ba4 tetrahedra,  an edgeedge with one F(7)Ba4 tetrahedra,  an edgeedge with one F(8)Ba4 tetrahedra,  an edgeedge with one F(9)Ba4 tetrahedra, edges with two equivalent F(1)Ba4 tetrahedra, edges with two equivalent F(2)Ba4 tetrahedra, and faces with two equivalent Cl(1)Ba6 pentagonal pyramids. There are eleven inequivalent F sites. In the first F site, F(1) is bonded to one Ba(1), one Ba(4), and two equivalent Ba(5) atoms to form FBa4 tetrahedra that share corners with two equivalent Br(1)Ba6 pentagonal pyramids, corners with two equivalent Br(2)Ba6 pentagonal pyramids,  a cornercorner with one F(2)Ba4 tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra, corners with two equivalent F(1)Ba4 tetrahedra, corners with four equivalent F(10)Ba4 tetrahedra,  an edgeedge with one Br(2)Ba6 pentagonal pyramid, edges with two equivalent Cl(1)Ba6 pentagonal pyramids, edges with two equivalent F(7)Ba4 tetrahedra, and edges with two equivalent F(9)Ba4 tetrahedra. In the second F site, F(2) is bonded to one Ba(1), one Ba(3), and two equivalent Ba(6) atoms to form FBa4 tetrahedra that share corners with two equivalent Br(2)Ba6 pentagonal pyramids, corners with two equivalent Cl(1)Ba6 pentagonal pyramids,  a cornercorner with one F(1)Ba4 tetrahedra, corners with two equivalent F(11)Ba4 tetrahedra, corners with two equivalent F(9)Ba4 tetrahedra, corners with three equivalent F(2)Ba4 tetrahedra,  an edgeedge with one Br(2)Ba6 pentagonal pyramid, edges with two equivalent Cl(1)Ba6 pentagonal pyramids, edges with two equivalent F(10)Ba4 tetrahedra, and edges with two equivalent F(8)Ba4 tetrahedra. In the third F site, F(3) is bonded to one Ba(2), one Ba(4), and two equivalent Ba(7) atoms to form FBa4 tetrahedra that share corners with two equivalent Br(2)Ba6 pentagonal pyramids, corners with two equivalent Cl(1)Ba6 pentagonal pyramids,  a cornercorner with one F(1)Ba4 tetrahedra, corners with two equivalent F(11)Ba4 tetrahedra, corners with two equivalent F(9)Ba4 tetrahedra, corners with three equivalent F(3)Ba4 tetrahedra,  an edgeedge with one Br(2)Ba6 pentagonal pyramid, edges with two equivalent Br(1)Ba6 pentagonal pyramids, edges with two equivalent F(11)Ba4 tetrahedra, and edges with two equivalent F(7)Ba4 tetrahedra. In the fourth F site, F(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(5), and two equivalent Ba(7) atoms. In the fifth F site, F(5) is bonded in a 5-coordinate geometry to one Ba(2) and four equivalent Ba(6) atoms. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Ba(3) and two equivalent Ba(4) atoms. In the seventh F site, F(7) is bonded to one Ba(5), one Ba(7), and two equivalent Ba(4) atoms to form FBa4 tetrahedra that share corners with two equivalent Br(1)Ba6 pentagonal pyramids, corners with two equivalent Cl(1)Ba6 pentagonal pyramids, corners with four equivalent Br(2)Ba6 pentagonal pyramids,  a cornercorner with one F(10)Ba4 tetrahedra,  a cornercorner with one F(11)Ba4 tetrahedra, corners with two equivalent F(7)Ba4 tetrahedra, corners with two equivalent F(9)Ba4 tetrahedra,  an edgeedge with one Br(1)Ba6 pentagonal pyramid,  an edgeedge with one Cl(1)Ba6 pentagonal pyramid, edges with two equivalent F(1)Ba4 tetrahedra, and edges with two equivalent F(3)Ba4 tetrahedra. In the eighth F site, F(8) is bonded to two equivalent Ba(3) and two equivalent Ba(6) atoms to form FBa4 tetrahedra that share corners with four equivalent Br(2)Ba6 pentagonal pyramids, corners with four equivalent Cl(1)Ba6 pentagonal pyramids, corners with two equivalent F(10)Ba4 tetrahedra, corners with two equivalent F(11)Ba4 tetrahedra, corners with two equivalent F(8)Ba4 tetrahedra, edges with two equivalent Cl(1)Ba6 pentagonal pyramids, and edges with four equivalent F(2)Ba4 tetrahedra. In the ninth F site, F(9) is bonded to one Ba(5), one Ba(7), and two equivalent Ba(1) atoms to form FBa4 tetrahedra that share corners with two equivalent Cl(1)Ba6 pentagonal pyramids,  a cornercorner with one F(11)Ba4 tetrahedra, corners with two equivalent F(2)Ba4 tetrahedra, corners with two equivalent F(3)Ba4 tetrahedra, corners with two equivalent F(7)Ba4 tetrahedra, corners with two equivalent F(9)Ba4 tetrahedra, corners with three equivalent F(10)Ba4 tetrahedra,  an edgeedge with one Cl(1)Ba6 pentagonal pyramid, edges with two equivalent Br(2)Ba6 pentagonal pyramids,  an edgeedge with one F(10)Ba4 tetrahedra, and edges with two equivalent F(1)Ba4 tetrahedra. In the tenth F site, F(10) is bonded to one Ba(5), one Ba(6), and two equivalent Ba(1) atoms to form FBa4 tetrahedra that share corners with two equivalent Cl(1)Ba6 pentagonal pyramids,  a cornercorner with one F(11)Ba4 tetrahedra,  a cornercorner with one F(7)Ba4 tetrahedra,  a cornercorner with one F(8)Ba4 tetrahedra, corners with two equivalent F(10)Ba4 tetrahedra, corners with three equivalent F(9)Ba4 tetrahedra, corners with four equivalent F(1)Ba4 tetrahedra,  an edgeedge with one Cl(1)Ba6 pentagonal pyramid, edges with two equivalent Br(2)Ba6 pentagonal pyramids,  an edgeedge with one F(9)Ba4 tetrahedra, and edges with two equivalent F(2)Ba4 tetrahedra. In the eleventh F site, F(11) is bonded to one Ba(6), one Ba(7), and two equivalent Ba(2) atoms to form FBa4 tetrahedra that share corners with two equivalent Br(1)Ba6 pentagonal pyramids,  a cornercorner with one F(10)Ba4 tetrahedra,  a cornercorner with one F(7)Ba4 tetrahedra,  a cornercorner with one F(8)Ba4 tetrahedra,  a cornercorner with one F(9)Ba4 tetrahedra, corners with two equivalent F(2)Ba4 tetrahedra, corners with two equivalent F(3)Ba4 tetrahedra, corners with four equivalent F(11)Ba4 tetrahedra,  an edgeedge with one Br(1)Ba6 pentagonal pyramid, edges with two equivalent Br(2)Ba6 pentagonal pyramids,  an edgeedge with one F(11)Ba4 tetrahedra, and edges with two equivalent F(3)Ba4 tetrahedra.