Ba2YCo2F11 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 10-coordinate geometry to one F(1), one F(11), one F(2), one F(3), one F(5), one F(6), one F(7), one F(8), and two equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(3), one F(5), one F(7), one F(8), and one F(9) atom. 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 Co sites. In the first Co site, Co(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(9) atom to form a mixture of corner and edge-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles are 57°. In the second Co site, Co(2) is bonded to one F(1), one F(10), one F(11), one F(6), one F(8), and one F(9) atom to form a mixture of corner and edge-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are eleven inequivalent F sites. In the first F site, F(10) is bonded in a distorted T-shaped geometry to two equivalent Y(1) and one Co(2) atom. In the second F site, F(11) is bonded in a distorted trigonal planar geometry to one Ba(1), one Y(1), and one Co(2) atom. In the third F site, F(1) is bonded in a distorted water-like geometry to one Ba(1), one Ba(2), one Co(1), and one Co(2) atom. In the fourth F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Co(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 Co(1) atom. In the sixth F site, F(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Co(1) atom. In the seventh F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), 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 Co(1), and one Co(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 3-coordinate geometry to one Ba(1), one Ba(2), and one Co(2) atom. In the eleventh F site, F(9) is bonded in a distorted tetrahedral geometry to one Ba(2), one Y(1), one Co(1), and one Co(2) atom.
Ba2YCo2F11 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 10-coordinate geometry to one F(1), one F(11), one F(2), one F(3), one F(5), one F(6), one F(7), one F(8), and two equivalent F(4) atoms. The Ba(1)-F(1) bond length is 2.94 Å. The Ba(1)-F(11) bond length is 2.71 Å. The Ba(1)-F(2) bond length is 2.96 Å. The Ba(1)-F(3) bond length is 2.93 Å. The Ba(1)-F(5) bond length is 2.73 Å. The Ba(1)-F(6) bond length is 2.95 Å. The Ba(1)-F(7) bond length is 3.08 Å. The Ba(1)-F(8) bond length is 2.89 Å. There is one shorter (2.65 Å) and one longer (2.71 Å) Ba(1)-F(4) bond length. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(3), one F(5), one F(7), one F(8), and one F(9) atom. The Ba(2)-F(1) bond length is 2.90 Å. The Ba(2)-F(2) bond length is 2.75 Å. The Ba(2)-F(3) bond length is 2.71 Å. The Ba(2)-F(5) bond length is 2.75 Å. The Ba(2)-F(7) bond length is 2.57 Å. The Ba(2)-F(8) bond length is 2.77 Å. The Ba(2)-F(9) bond length is 2.82 Å. 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 2.21 Å. The Y(1)-F(3) bond length is 2.27 Å. The Y(1)-F(5) bond length is 2.17 Å. The Y(1)-F(7) bond length is 2.11 Å. The Y(1)-F(9) bond length is 2.22 Å. There is one shorter (2.37 Å) and one longer (2.59 Å) Y(1)-F(10) bond length. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(9) atom to form a mixture of corner and edge-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles are 57°. The Co(1)-F(1) bond length is 2.06 Å. The Co(1)-F(2) bond length is 1.99 Å. The Co(1)-F(3) bond length is 2.25 Å. The Co(1)-F(4) bond length is 2.01 Å. The Co(1)-F(6) bond length is 2.05 Å. The Co(1)-F(9) bond length is 2.23 Å. In the second Co site, Co(2) is bonded to one F(1), one F(10), one F(11), one F(6), one F(8), and one F(9) atom to form a mixture of corner and edge-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles are 57°. The Co(2)-F(1) bond length is 2.03 Å. The Co(2)-F(10) bond length is 2.15 Å. The Co(2)-F(11) bond length is 2.14 Å. The Co(2)-F(6) bond length is 2.03 Å. The Co(2)-F(8) bond length is 2.02 Å. The Co(2)-F(9) bond length is 2.15 Å. There are eleven inequivalent F sites. In the first F site, F(10) is bonded in a distorted T-shaped geometry to two equivalent Y(1) and one Co(2) atom. In the second F site, F(11) is bonded in a distorted trigonal planar geometry to one Ba(1), one Y(1), and one Co(2) atom. In the third F site, F(1) is bonded in a distorted water-like geometry to one Ba(1), one Ba(2), one Co(1), and one Co(2) atom. In the fourth F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Co(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 Co(1) atom. In the sixth F site, F(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Co(1) atom. In the seventh F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), 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 Co(1), and one Co(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 3-coordinate geometry to one Ba(1), one Ba(2), and one Co(2) atom. In the eleventh F site, F(9) is bonded in a distorted tetrahedral geometry to one Ba(2), one Y(1), one Co(1), and one Co(2) atom.