Ba5Y3F19 crystallizes in the triclinic P-1 space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one F(12), one F(17), one F(6), two equivalent F(16), two equivalent F(4), and two equivalent F(9) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(12), one F(13), one F(15), one F(20), one F(3), one F(5), one F(6), one F(7), and one F(8) atom. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one F(13), one F(16), one F(2), one F(3), one F(5), one F(6), one F(7), and one F(9) atom. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one F(1), one F(14), one F(16), one F(17), one F(18), one F(19), one F(2), and one F(8) atom. In the fifth Ba site, Ba(5) is bonded in a 9-coordinate geometry to one F(1), one F(12), one F(14), one F(15), one F(17), one F(18), one F(19), one F(20), and one F(4) atom. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in an octahedral geometry to one F(1), one F(19), one F(2), one F(4), one F(5), and one F(6) atom. In the second Y site, Y(2) is bonded to one F(10), one F(11), one F(14), one F(15), one F(7), and one F(8) atom to form corner-sharing YF6 octahedra. The corner-sharing octahedra are not tilted. In the third Y site, Y(3) is bonded in an octahedral geometry to one F(13), one F(17), one F(18), one F(20), one F(3), and one F(9) atom. There are twenty inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ba(4), one Ba(5), and one Y(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Ba(3), one Ba(4), and one Y(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(3), and one Y(3) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Ba(5), two equivalent Ba(1), and one Y(1) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(3), and one Y(1) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), and one Y(1) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(3), and one Y(2) atom. In the eighth F site, F(8) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(4), and one Y(2) atom. In the ninth F site, F(9) is bonded to one Ba(3), two equivalent Ba(1), and one Y(3) atom to form a mixture of distorted edge and corner-sharing FBa3Y trigonal pyramids. In the tenth F site, F(10) is bonded in a linear geometry to two equivalent Y(2) atoms. In the eleventh F site, F(11) is bonded in a linear geometry to two equivalent Y(2) atoms. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to one Ba(1), one Ba(2), and one Ba(5) atom. In the thirteenth F site, F(13) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(3), and one Y(3) atom. In the fourteenth F site, F(14) is bonded in a 3-coordinate geometry to one Ba(4), one Ba(5), and one Y(2) atom. In the fifteenth F site, F(15) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(5), and one Y(2) atom. In the sixteenth F site, F(16) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(4), and two equivalent Ba(1) atoms. In the seventeenth F site, F(17) is bonded to one Ba(1), one Ba(4), one Ba(5), and one Y(3) atom to form a mixture of distorted edge and corner-sharing FBa3Y tetrahedra. In the eighteenth F site, F(18) is bonded in a 3-coordinate geometry to one Ba(4), one Ba(5), and one Y(3) atom. In the nineteenth F site, F(19) is bonded in a 3-coordinate geometry to one Ba(4), one Ba(5), and one Y(1) atom. In the twentieth F site, F(20) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(5), and one Y(3) atom.
Ba5Y3F19 crystallizes in the triclinic P-1 space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one F(12), one F(17), one F(6), two equivalent F(16), two equivalent F(4), and two equivalent F(9) atoms. The Ba(1)-F(12) bond length is 2.67 Å. The Ba(1)-F(17) bond length is 2.98 Å. The Ba(1)-F(6) bond length is 2.96 Å. There is one shorter (2.77 Å) and one longer (3.22 Å) Ba(1)-F(16) bond length. There is one shorter (2.75 Å) and one longer (2.76 Å) Ba(1)-F(4) bond length. There is one shorter (2.74 Å) and one longer (2.83 Å) Ba(1)-F(9) bond length. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(12), one F(13), one F(15), one F(20), one F(3), one F(5), one F(6), one F(7), and one F(8) atom. The Ba(2)-F(12) bond length is 2.51 Å. The Ba(2)-F(13) bond length is 2.78 Å. The Ba(2)-F(15) bond length is 3.34 Å. The Ba(2)-F(20) bond length is 2.87 Å. The Ba(2)-F(3) bond length is 2.78 Å. The Ba(2)-F(5) bond length is 2.89 Å. The Ba(2)-F(6) bond length is 2.87 Å. The Ba(2)-F(7) bond length is 2.98 Å. The Ba(2)-F(8) bond length is 2.82 Å. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one F(13), one F(16), one F(2), one F(3), one F(5), one F(6), one F(7), and one F(9) atom. The Ba(3)-F(13) bond length is 2.74 Å. The Ba(3)-F(16) bond length is 2.66 Å. The Ba(3)-F(2) bond length is 2.74 Å. The Ba(3)-F(3) bond length is 2.99 Å. The Ba(3)-F(5) bond length is 2.66 Å. The Ba(3)-F(6) bond length is 2.80 Å. The Ba(3)-F(7) bond length is 2.78 Å. The Ba(3)-F(9) bond length is 2.75 Å. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one F(1), one F(14), one F(16), one F(17), one F(18), one F(19), one F(2), and one F(8) atom. The Ba(4)-F(1) bond length is 2.71 Å. The Ba(4)-F(14) bond length is 2.79 Å. The Ba(4)-F(16) bond length is 2.54 Å. The Ba(4)-F(17) bond length is 2.83 Å. The Ba(4)-F(18) bond length is 2.86 Å. The Ba(4)-F(19) bond length is 2.81 Å. The Ba(4)-F(2) bond length is 2.84 Å. The Ba(4)-F(8) bond length is 3.01 Å. In the fifth Ba site, Ba(5) is bonded in a 9-coordinate geometry to one F(1), one F(12), one F(14), one F(15), one F(17), one F(18), one F(19), one F(20), and one F(4) atom. The Ba(5)-F(1) bond length is 2.98 Å. The Ba(5)-F(12) bond length is 2.62 Å. The Ba(5)-F(14) bond length is 3.06 Å. The Ba(5)-F(15) bond length is 2.80 Å. The Ba(5)-F(17) bond length is 2.83 Å. The Ba(5)-F(18) bond length is 2.71 Å. The Ba(5)-F(19) bond length is 2.84 Å. The Ba(5)-F(20) bond length is 2.82 Å. The Ba(5)-F(4) bond length is 2.93 Å. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in an octahedral geometry to one F(1), one F(19), one F(2), one F(4), one F(5), and one F(6) atom. The Y(1)-F(1) bond length is 2.17 Å. The Y(1)-F(19) bond length is 2.19 Å. The Y(1)-F(2) bond length is 2.19 Å. The Y(1)-F(4) bond length is 2.21 Å. The Y(1)-F(5) bond length is 2.17 Å. The Y(1)-F(6) bond length is 2.21 Å. In the second Y site, Y(2) is bonded to one F(10), one F(11), one F(14), one F(15), one F(7), and one F(8) atom to form corner-sharing YF6 octahedra. The corner-sharing octahedra are not tilted. The Y(2)-F(10) bond length is 2.06 Å. The Y(2)-F(11) bond length is 2.07 Å. The Y(2)-F(14) bond length is 2.19 Å. The Y(2)-F(15) bond length is 2.18 Å. The Y(2)-F(7) bond length is 2.18 Å. The Y(2)-F(8) bond length is 2.20 Å. In the third Y site, Y(3) is bonded in an octahedral geometry to one F(13), one F(17), one F(18), one F(20), one F(3), and one F(9) atom. The Y(3)-F(13) bond length is 2.18 Å. The Y(3)-F(17) bond length is 2.23 Å. The Y(3)-F(18) bond length is 2.16 Å. The Y(3)-F(20) bond length is 2.18 Å. The Y(3)-F(3) bond length is 2.19 Å. The Y(3)-F(9) bond length is 2.22 Å. There are twenty inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ba(4), one Ba(5), and one Y(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Ba(3), one Ba(4), and one Y(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(3), and one Y(3) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Ba(5), two equivalent Ba(1), and one Y(1) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(3), and one Y(1) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), and one Y(1) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(3), and one Y(2) atom. In the eighth F site, F(8) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(4), and one Y(2) atom. In the ninth F site, F(9) is bonded to one Ba(3), two equivalent Ba(1), and one Y(3) atom to form a mixture of distorted edge and corner-sharing FBa3Y trigonal pyramids. In the tenth F site, F(10) is bonded in a linear geometry to two equivalent Y(2) atoms. In the eleventh F site, F(11) is bonded in a linear geometry to two equivalent Y(2) atoms. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to one Ba(1), one Ba(2), and one Ba(5) atom. In the thirteenth F site, F(13) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(3), and one Y(3) atom. In the fourteenth F site, F(14) is bonded in a 3-coordinate geometry to one Ba(4), one Ba(5), and one Y(2) atom. In the fifteenth F site, F(15) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(5), and one Y(2) atom. In the sixteenth F site, F(16) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(4), and two equivalent Ba(1) atoms. In the seventeenth F site, F(17) is bonded to one Ba(1), one Ba(4), one Ba(5), and one Y(3) atom to form a mixture of distorted edge and corner-sharing FBa3Y tetrahedra. In the eighteenth F site, F(18) is bonded in a 3-coordinate geometry to one Ba(4), one Ba(5), and one Y(3) atom. In the nineteenth F site, F(19) is bonded in a 3-coordinate geometry to one Ba(4), one Ba(5), and one Y(1) atom. In the twentieth F site, F(20) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(5), and one Y(3) atom.