Ba2YF7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(7), two equivalent F(5), and two equivalent F(6) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(1), one F(4), one F(5), one F(6), one F(7), two equivalent F(2), and two equivalent F(3) atoms. Y(1) is bonded in a distorted pentagonal bipyramidal geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the second F site, F(2) is bonded to one Ba(1), two equivalent Ba(2), and one Y(1) atom to form a mixture of corner and edge-sharing FBa3Y tetrahedra. In the third F site, F(3) is bonded to one Ba(1), two equivalent Ba(2), and one Y(1) atom to form a mixture of corner and edge-sharing FBa3Y tetrahedra. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fifth F site, F(5) is bonded to one Ba(2), two equivalent Ba(1), and one Y(1) atom to form a mixture of corner and edge-sharing FBa3Y tetrahedra. In the sixth F site, F(6) is bonded to one Ba(2), two equivalent Ba(1), and one Y(1) atom to form a mixture of corner and edge-sharing FBa3Y tetrahedra. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom.
Ba2YF7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(7), two equivalent F(5), and two equivalent F(6) atoms. The Ba(1)-F(1) bond length is 2.82 Å. The Ba(1)-F(2) bond length is 2.77 Å. The Ba(1)-F(3) bond length is 2.75 Å. The Ba(1)-F(4) bond length is 2.65 Å. The Ba(1)-F(7) bond length is 2.73 Å. There is one shorter (2.68 Å) and one longer (2.69 Å) Ba(1)-F(5) bond length. There is one shorter (2.68 Å) and one longer (2.79 Å) Ba(1)-F(6) bond length. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(1), one F(4), one F(5), one F(6), one F(7), two equivalent F(2), and two equivalent F(3) atoms. The Ba(2)-F(1) bond length is 2.77 Å. The Ba(2)-F(4) bond length is 2.64 Å. The Ba(2)-F(5) bond length is 2.74 Å. The Ba(2)-F(6) bond length is 2.67 Å. The Ba(2)-F(7) bond length is 2.78 Å. There is one shorter (2.71 Å) and one longer (2.82 Å) Ba(2)-F(2) bond length. There is one shorter (2.74 Å) and one longer (2.77 Å) Ba(2)-F(3) bond length. Y(1) is bonded in a distorted pentagonal bipyramidal geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom. The Y(1)-F(1) bond length is 2.21 Å. The Y(1)-F(2) bond length is 2.24 Å. The Y(1)-F(3) bond length is 2.27 Å. The Y(1)-F(4) bond length is 2.22 Å. The Y(1)-F(5) bond length is 2.26 Å. The Y(1)-F(6) bond length is 2.24 Å. The Y(1)-F(7) bond length is 2.20 Å. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the second F site, F(2) is bonded to one Ba(1), two equivalent Ba(2), and one Y(1) atom to form a mixture of corner and edge-sharing FBa3Y tetrahedra. In the third F site, F(3) is bonded to one Ba(1), two equivalent Ba(2), and one Y(1) atom to form a mixture of corner and edge-sharing FBa3Y tetrahedra. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fifth F site, F(5) is bonded to one Ba(2), two equivalent Ba(1), and one Y(1) atom to form a mixture of corner and edge-sharing FBa3Y tetrahedra. In the sixth F site, F(6) is bonded to one Ba(2), two equivalent Ba(1), and one Y(1) atom to form a mixture of corner and edge-sharing FBa3Y tetrahedra. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom.