Ba5Y3F19 crystallizes in the tetragonal I4cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent F(6) and four equivalent F(2) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one F(4), one F(6), one F(7), two equivalent F(1), and two equivalent F(3) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in an octahedral geometry to one F(2), one F(7), two equivalent F(1), and two equivalent F(3) atoms. In the second Y site, Y(2) is bonded to two equivalent F(5) and four equivalent F(4) atoms to form corner-sharing YF6 octahedra. The corner-sharing octahedra are not tilted. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(2) and one Y(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Y(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to two equivalent Ba(2) and one Y(1) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Ba(2) and one Y(2) atom. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent Y(2) atoms. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Ba(1) and two equivalent Ba(2) atoms. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to two equivalent Ba(2) and one Y(1) atom.
Ba5Y3F19 crystallizes in the tetragonal I4cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent F(6) and four equivalent F(2) atoms. Both Ba(1)-F(6) bond lengths are 2.64 Å. There are two shorter (2.63 Å) and two longer (2.65 Å) Ba(1)-F(2) bond lengths. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one F(4), one F(6), one F(7), two equivalent F(1), and two equivalent F(3) atoms. The Ba(2)-F(4) bond length is 2.69 Å. The Ba(2)-F(6) bond length is 2.57 Å. The Ba(2)-F(7) bond length is 2.75 Å. There is one shorter (2.79 Å) and one longer (2.84 Å) Ba(2)-F(1) bond length. There is one shorter (2.77 Å) and one longer (2.85 Å) Ba(2)-F(3) bond length. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in an octahedral geometry to one F(2), one F(7), two equivalent F(1), and two equivalent F(3) atoms. The Y(1)-F(2) bond length is 2.20 Å. The Y(1)-F(7) bond length is 2.19 Å. Both Y(1)-F(1) bond lengths are 2.19 Å. Both Y(1)-F(3) bond lengths are 2.23 Å. In the second Y site, Y(2) is bonded to two equivalent F(5) and four equivalent F(4) atoms to form corner-sharing YF6 octahedra. The corner-sharing octahedra are not tilted. There is one shorter (2.07 Å) and one longer (2.12 Å) Y(2)-F(5) bond length. All Y(2)-F(4) bond lengths are 2.19 Å. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(2) and one Y(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Y(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to two equivalent Ba(2) and one Y(1) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Ba(2) and one Y(2) atom. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent Y(2) atoms. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Ba(1) and two equivalent Ba(2) atoms. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to two equivalent Ba(2) and one Y(1) atom.