Ba2YTi2F11 crystallizes in the trigonal P3_2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one F(1), one F(10), one F(11), one F(2), one F(3), one F(6), one F(7), one F(8), two equivalent F(4), and two equivalent F(5) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one F(1), one F(11), one F(3), one F(4), one F(5), one F(7), one F(9), two equivalent F(2), and two equivalent F(8) atoms. Y(1) is bonded in a 7-coordinate geometry to one F(11), one F(3), one F(5), one F(7), one F(9), and two equivalent F(10) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(9) atom. In the second Ti site, Ti(2) is bonded in a distorted pentagonal pyramidal geometry to one F(1), one F(10), one F(11), one F(6), one F(8), and one F(9) atom. There are eleven inequivalent F sites. In the first F site, F(10) is bonded in a 2-coordinate geometry to one Ba(1), two equivalent Y(1), and one Ti(2) atom. In the second F site, F(11) is bonded to one Ba(1), one Ba(2), one Y(1), and one Ti(2) atom to form distorted corner-sharing FBa2YTi tetrahedra. In the third F site, F(1) is bonded in a distorted water-like geometry to one Ba(1), one Ba(2), one Ti(1), and one Ti(2) atom. In the fourth F site, F(2) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one Ti(1) atom. In the fifth F site, F(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), and one Ti(1) atom. In the sixth F site, F(4) is bonded in a 1-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Ti(1) atom. In the seventh F site, F(5) is bonded in a 3-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Y(1) atom. In the eighth F site, F(6) is bonded in a distorted L-shaped geometry to one Ba(1), one Ti(1), and one Ti(2) atom. In the ninth F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the tenth F site, F(8) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Ti(2) atom. In the eleventh F site, F(9) is bonded to one Ba(2), one Y(1), one Ti(1), and one Ti(2) atom to form corner-sharing FBaYTi2 tetrahedra.
Ba2YTi2F11 crystallizes in the trigonal P3_2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one F(1), one F(10), one F(11), one F(2), one F(3), one F(6), one F(7), one F(8), two equivalent F(4), and two equivalent F(5) atoms. The Ba(1)-F(1) bond length is 2.91 Å. The Ba(1)-F(10) bond length is 3.39 Å. The Ba(1)-F(11) bond length is 2.73 Å. The Ba(1)-F(2) bond length is 3.09 Å. The Ba(1)-F(3) bond length is 3.06 Å. The Ba(1)-F(6) bond length is 2.77 Å. The Ba(1)-F(7) bond length is 3.02 Å. The Ba(1)-F(8) bond length is 2.84 Å. There is one shorter (2.67 Å) and one longer (2.81 Å) Ba(1)-F(4) bond length. There is one shorter (2.75 Å) and one longer (3.28 Å) Ba(1)-F(5) bond length. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one F(1), one F(11), one F(3), one F(4), one F(5), one F(7), one F(9), two equivalent F(2), and two equivalent F(8) atoms. The Ba(2)-F(1) bond length is 3.02 Å. The Ba(2)-F(11) bond length is 2.93 Å. The Ba(2)-F(3) bond length is 2.65 Å. The Ba(2)-F(4) bond length is 3.18 Å. The Ba(2)-F(5) bond length is 2.83 Å. The Ba(2)-F(7) bond length is 2.53 Å. The Ba(2)-F(9) bond length is 2.75 Å. There is one shorter (2.81 Å) and one longer (3.26 Å) Ba(2)-F(2) bond length. There is one shorter (3.00 Å) and one longer (3.12 Å) Ba(2)-F(8) bond length. Y(1) is bonded in a 7-coordinate geometry to one F(11), one F(3), one F(5), one F(7), one F(9), and two equivalent F(10) atoms. The Y(1)-F(11) bond length is 2.22 Å. The Y(1)-F(3) bond length is 2.31 Å. The Y(1)-F(5) bond length is 2.19 Å. The Y(1)-F(7) bond length is 2.14 Å. The Y(1)-F(9) bond length is 2.24 Å. There is one shorter (2.32 Å) and one longer (2.72 Å) Y(1)-F(10) bond length. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(9) atom. The Ti(1)-F(1) bond length is 2.13 Å. The Ti(1)-F(2) bond length is 1.99 Å. The Ti(1)-F(3) bond length is 2.35 Å. The Ti(1)-F(4) bond length is 2.05 Å. The Ti(1)-F(6) bond length is 2.05 Å. The Ti(1)-F(9) bond length is 2.19 Å. In the second Ti site, Ti(2) is bonded in a distorted pentagonal pyramidal geometry to one F(1), one F(10), one F(11), one F(6), one F(8), and one F(9) atom. The Ti(2)-F(1) bond length is 2.11 Å. The Ti(2)-F(10) bond length is 2.13 Å. The Ti(2)-F(11) bond length is 2.27 Å. The Ti(2)-F(6) bond length is 2.03 Å. The Ti(2)-F(8) bond length is 2.06 Å. The Ti(2)-F(9) bond length is 2.25 Å. There are eleven inequivalent F sites. In the first F site, F(10) is bonded in a 2-coordinate geometry to one Ba(1), two equivalent Y(1), and one Ti(2) atom. In the second F site, F(11) is bonded to one Ba(1), one Ba(2), one Y(1), and one Ti(2) atom to form distorted corner-sharing FBa2YTi tetrahedra. In the third F site, F(1) is bonded in a distorted water-like geometry to one Ba(1), one Ba(2), one Ti(1), and one Ti(2) atom. In the fourth F site, F(2) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one Ti(1) atom. In the fifth F site, F(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), and one Ti(1) atom. In the sixth F site, F(4) is bonded in a 1-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Ti(1) atom. In the seventh F site, F(5) is bonded in a 3-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Y(1) atom. In the eighth F site, F(6) is bonded in a distorted L-shaped geometry to one Ba(1), one Ti(1), and one Ti(2) atom. In the ninth F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the tenth F site, F(8) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Ti(2) atom. In the eleventh F site, F(9) is bonded to one Ba(2), one Y(1), one Ti(1), and one Ti(2) atom to form corner-sharing FBaYTi2 tetrahedra.