Ba2YCu2F11 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 11-coordinate geometry to one F(1), 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 10-coordinate geometry to one F(1), one F(11), one F(2), one F(3), one F(4), one F(5), one F(7), one F(9), and two equivalent F(8) atoms. Y(1) is bonded in a 6-coordinate geometry to one F(10), one F(11), one F(3), one F(5), one F(7), and one F(9) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(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 Cu site, Cu(2) is bonded in a distorted square pyramidal geometry to one F(1), one F(10), 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 distorted water-like geometry to one Y(1) and one Cu(2) atom. In the second F site, F(11) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the third F site, F(1) is bonded in a distorted water-like geometry to one Ba(1), one Ba(2), one Cu(1), and one Cu(2) atom. In the fourth F site, F(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Cu(1) atom. In the fifth F site, F(3) is bonded to one Ba(1), one Ba(2), one Y(1), and one Cu(1) atom to form distorted corner-sharing FBa2YCu tetrahedra. In the sixth F site, F(4) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Cu(1) atom. In the seventh F site, F(5) is bonded in a 4-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 bent 120 degrees geometry to one Ba(1), one Cu(1), and one Cu(2) atom. In the ninth F site, F(7) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the tenth F site, F(8) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one Cu(2) atom. In the eleventh F site, F(9) is bonded to one Ba(2), one Y(1), one Cu(1), and one Cu(2) atom to form distorted corner-sharing FBaYCu2 tetrahedra.
Ba2YCu2F11 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 11-coordinate geometry to one F(1), 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 2.90 Å. The Ba(1)-F(11) bond length is 2.65 Å. The Ba(1)-F(2) bond length is 3.06 Å. The Ba(1)-F(3) bond length is 2.86 Å. The Ba(1)-F(6) bond length is 3.07 Å. The Ba(1)-F(7) bond length is 2.90 Å. The Ba(1)-F(8) bond length is 2.91 Å. There is one shorter (2.74 Å) and one longer (2.85 Å) Ba(1)-F(4) bond length. There is one shorter (2.78 Å) and one longer (3.20 Å) Ba(1)-F(5) bond length. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one F(1), one F(11), one F(2), one F(3), one F(4), one F(5), one F(7), one F(9), and two equivalent F(8) atoms. The Ba(2)-F(1) bond length is 3.11 Å. The Ba(2)-F(11) bond length is 3.19 Å. The Ba(2)-F(2) bond length is 2.80 Å. The Ba(2)-F(3) bond length is 2.67 Å. The Ba(2)-F(4) bond length is 3.21 Å. The Ba(2)-F(5) bond length is 2.83 Å. The Ba(2)-F(7) bond length is 2.62 Å. The Ba(2)-F(9) bond length is 2.68 Å. There is one shorter (3.03 Å) and one longer (3.15 Å) Ba(2)-F(8) bond length. Y(1) is bonded in a 6-coordinate geometry to one F(10), one F(11), one F(3), one F(5), one F(7), and one F(9) atom. The Y(1)-F(10) bond length is 2.30 Å. The Y(1)-F(11) bond length is 2.16 Å. The Y(1)-F(3) bond length is 2.19 Å. The Y(1)-F(5) bond length is 2.21 Å. The Y(1)-F(7) bond length is 2.14 Å. The Y(1)-F(9) bond length is 2.16 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(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 Cu(1)-F(1) bond length is 1.99 Å. The Cu(1)-F(2) bond length is 1.91 Å. The Cu(1)-F(3) bond length is 2.48 Å. The Cu(1)-F(4) bond length is 1.91 Å. The Cu(1)-F(6) bond length is 1.97 Å. The Cu(1)-F(9) bond length is 2.41 Å. In the second Cu site, Cu(2) is bonded in a distorted square pyramidal geometry to one F(1), one F(10), one F(6), one F(8), and one F(9) atom. The Cu(2)-F(1) bond length is 1.96 Å. The Cu(2)-F(10) bond length is 1.98 Å. The Cu(2)-F(6) bond length is 1.92 Å. The Cu(2)-F(8) bond length is 1.90 Å. The Cu(2)-F(9) bond length is 2.24 Å. There are eleven inequivalent F sites. In the first F site, F(10) is bonded in a distorted water-like geometry to one Y(1) and one Cu(2) atom. In the second F site, F(11) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the third F site, F(1) is bonded in a distorted water-like geometry to one Ba(1), one Ba(2), one Cu(1), and one Cu(2) atom. In the fourth F site, F(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Cu(1) atom. In the fifth F site, F(3) is bonded to one Ba(1), one Ba(2), one Y(1), and one Cu(1) atom to form distorted corner-sharing FBa2YCu tetrahedra. In the sixth F site, F(4) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Cu(1) atom. In the seventh F site, F(5) is bonded in a 4-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 bent 120 degrees geometry to one Ba(1), one Cu(1), and one Cu(2) atom. In the ninth F site, F(7) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the tenth F site, F(8) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one Cu(2) atom. In the eleventh F site, F(9) is bonded to one Ba(2), one Y(1), one Cu(1), and one Cu(2) atom to form distorted corner-sharing FBaYCu2 tetrahedra.