Ba2YFe2F11 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 8-coordinate geometry to one F(1), one F(2), one F(3), one F(5), one F(7), one F(9), 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 Fe sites. In the first Fe site, Fe(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 distorted edge and corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the second Fe site, Fe(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 edge and corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 63°. 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 Fe(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 Fe(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 Fe(1), and one Fe(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 Fe(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 Fe(1) atom. In the sixth F site, F(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Fe(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 Fe(1), and one Fe(2) atom. In the ninth F site, F(7) is bonded in a 2-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 4-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Fe(2) atom. In the eleventh F site, F(9) is bonded in a distorted tetrahedral geometry to one Ba(2), one Y(1), one Fe(1), and one Fe(2) atom.
Ba2YFe2F11 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 2.97 Å. The Ba(1)-F(11) bond length is 2.70 Å. The Ba(1)-F(2) bond length is 2.96 Å. The Ba(1)-F(3) bond length is 2.99 Å. The Ba(1)-F(5) bond length is 2.74 Å. The Ba(1)-F(6) bond length is 2.88 Å. The Ba(1)-F(7) bond length is 3.02 Å. The Ba(1)-F(8) bond length is 2.93 Å. There is one shorter (2.67 Å) and one longer (2.72 Å) Ba(1)-F(4) bond length. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(5), one F(7), one F(9), and two equivalent F(8) atoms. The Ba(2)-F(1) bond length is 2.93 Å. The Ba(2)-F(2) bond length is 2.74 Å. The Ba(2)-F(3) bond length is 2.69 Å. The Ba(2)-F(5) bond length is 2.74 Å. The Ba(2)-F(7) bond length is 2.57 Å. The Ba(2)-F(9) bond length is 2.80 Å. There is one shorter (2.85 Å) and one longer (3.16 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 2.21 Å. The Y(1)-F(3) bond length is 2.25 Å. The Y(1)-F(5) bond length is 2.18 Å. The Y(1)-F(7) bond length is 2.12 Å. The Y(1)-F(9) bond length is 2.23 Å. There is one shorter (2.35 Å) and one longer (2.65 Å) Y(1)-F(10) bond length. There are two inequivalent Fe sites. In the first Fe site, Fe(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 distorted edge and corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 63°. The Fe(1)-F(1) bond length is 2.11 Å. The Fe(1)-F(2) bond length is 1.99 Å. The Fe(1)-F(3) bond length is 2.31 Å. The Fe(1)-F(4) bond length is 2.02 Å. The Fe(1)-F(6) bond length is 2.12 Å. The Fe(1)-F(9) bond length is 2.24 Å. In the second Fe site, Fe(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 edge and corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 63°. The Fe(2)-F(1) bond length is 2.04 Å. The Fe(2)-F(10) bond length is 2.23 Å. The Fe(2)-F(11) bond length is 2.16 Å. The Fe(2)-F(6) bond length is 2.03 Å. The Fe(2)-F(8) bond length is 2.07 Å. The Fe(2)-F(9) bond length is 2.19 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 Fe(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 Fe(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 Fe(1), and one Fe(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 Fe(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 Fe(1) atom. In the sixth F site, F(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Fe(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 Fe(1), and one Fe(2) atom. In the ninth F site, F(7) is bonded in a 2-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 4-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Fe(2) atom. In the eleventh F site, F(9) is bonded in a distorted tetrahedral geometry to one Ba(2), one Y(1), one Fe(1), and one Fe(2) atom.