Ba2YCr2F11 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 to one F(10), one F(11), one F(3), one F(5), one F(7), and one F(9) atom to form distorted YF6 octahedra that share corners with two equivalent Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 60-67°. There are two inequivalent Cr sites. In the first Cr site, Cr(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 distorted CrF6 octahedra that share corners with two equivalent Y(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 60-67°. In the second Cr site, Cr(2) is bonded in a 5-coordinate 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 Cr(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 Cr(1), and one Cr(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 Cr(1) atom. In the fifth F site, F(3) is bonded to one Ba(1), one Ba(2), one Y(1), and one Cr(1) atom to form distorted corner-sharing FBa2YCr 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 Cr(1) atom. In the seventh F site, F(5) is bonded in a 1-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 Cr(1), and one Cr(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 Cr(2) atom. In the eleventh F site, F(9) is bonded to one Ba(2), one Y(1), one Cr(1), and one Cr(2) atom to form corner-sharing FBaYCr2 tetrahedra.
Ba2YCr2F11 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 2.93 Å. The Ba(1)-F(11) bond length is 2.68 Å. The Ba(1)-F(2) bond length is 3.01 Å. The Ba(1)-F(3) bond length is 2.91 Å. The Ba(1)-F(6) bond length is 2.95 Å. The Ba(1)-F(7) bond length is 2.96 Å. The Ba(1)-F(8) bond length is 2.93 Å. There is one shorter (2.79 Å) and one longer (2.83 Å) Ba(1)-F(4) bond length. There is one shorter (2.78 Å) and one longer (3.25 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 3.09 Å. The Ba(2)-F(11) bond length is 3.29 Å. The Ba(2)-F(2) bond length is 2.78 Å. The Ba(2)-F(3) bond length is 2.70 Å. The Ba(2)-F(4) bond length is 3.16 Å. The Ba(2)-F(5) bond length is 2.86 Å. The Ba(2)-F(7) bond length is 2.62 Å. The Ba(2)-F(9) bond length is 2.70 Å. There is one shorter (3.01 Å) and one longer (3.15 Å) Ba(2)-F(8) bond length. Y(1) is bonded to one F(10), one F(11), one F(3), one F(5), one F(7), and one F(9) atom to form distorted YF6 octahedra that share corners with two equivalent Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 60-67°. The Y(1)-F(10) bond length is 2.28 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 2.19 Å. The Y(1)-F(7) bond length is 2.14 Å. The Y(1)-F(9) bond length is 2.18 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(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 distorted CrF6 octahedra that share corners with two equivalent Y(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 60-67°. The Cr(1)-F(1) bond length is 2.06 Å. The Cr(1)-F(2) bond length is 2.01 Å. The Cr(1)-F(3) bond length is 2.47 Å. The Cr(1)-F(4) bond length is 2.01 Å. The Cr(1)-F(6) bond length is 2.05 Å. The Cr(1)-F(9) bond length is 2.45 Å. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one F(1), one F(10), one F(6), one F(8), and one F(9) atom. The Cr(2)-F(1) bond length is 2.03 Å. The Cr(2)-F(10) bond length is 2.07 Å. The Cr(2)-F(6) bond length is 2.00 Å. The Cr(2)-F(8) bond length is 2.00 Å. The Cr(2)-F(9) bond length is 2.31 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 Cr(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 Cr(1), and one Cr(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 Cr(1) atom. In the fifth F site, F(3) is bonded to one Ba(1), one Ba(2), one Y(1), and one Cr(1) atom to form distorted corner-sharing FBa2YCr 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 Cr(1) atom. In the seventh F site, F(5) is bonded in a 1-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 Cr(1), and one Cr(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 Cr(2) atom. In the eleventh F site, F(9) is bonded to one Ba(2), one Y(1), one Cr(1), and one Cr(2) atom to form corner-sharing FBaYCr2 tetrahedra.