Ba2YCl7 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 Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(7), two equivalent Cl(5), and two equivalent Cl(6) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(4), one Cl(5), one Cl(6), one Cl(7), two equivalent Cl(2), and two equivalent Cl(3) atoms. Y(1) is bonded in a distorted pentagonal bipyramidal geometry to one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), and one Cl(7) atom. There are seven inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the second Cl site, Cl(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 ClBa3Y tetrahedra. In the third Cl site, Cl(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 ClBa3Y tetrahedra. In the fourth Cl site, Cl(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 Cl site, Cl(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 ClBa3Y tetrahedra. In the sixth Cl site, Cl(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 ClBa3Y tetrahedra. In the seventh Cl site, Cl(7) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom.
Ba2YCl7 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 Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(7), two equivalent Cl(5), and two equivalent Cl(6) atoms. The Ba(1)-Cl(1) bond length is 3.30 Å. The Ba(1)-Cl(2) bond length is 3.30 Å. The Ba(1)-Cl(3) bond length is 3.24 Å. The Ba(1)-Cl(4) bond length is 3.10 Å. The Ba(1)-Cl(7) bond length is 3.31 Å. There is one shorter (3.17 Å) and one longer (3.19 Å) Ba(1)-Cl(5) bond length. There is one shorter (3.20 Å) and one longer (3.34 Å) Ba(1)-Cl(6) bond length. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(4), one Cl(5), one Cl(6), one Cl(7), two equivalent Cl(2), and two equivalent Cl(3) atoms. The Ba(2)-Cl(1) bond length is 3.36 Å. The Ba(2)-Cl(4) bond length is 3.10 Å. The Ba(2)-Cl(5) bond length is 3.24 Å. The Ba(2)-Cl(6) bond length is 3.19 Å. The Ba(2)-Cl(7) bond length is 3.24 Å. There is one shorter (3.25 Å) and one longer (3.34 Å) Ba(2)-Cl(2) bond length. Both Ba(2)-Cl(3) bond lengths are 3.25 Å. Y(1) is bonded in a distorted pentagonal bipyramidal geometry to one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), and one Cl(7) atom. The Y(1)-Cl(1) bond length is 2.68 Å. The Y(1)-Cl(2) bond length is 2.73 Å. The Y(1)-Cl(3) bond length is 2.79 Å. The Y(1)-Cl(4) bond length is 2.72 Å. The Y(1)-Cl(5) bond length is 2.77 Å. The Y(1)-Cl(6) bond length is 2.72 Å. The Y(1)-Cl(7) bond length is 2.67 Å. There are seven inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the second Cl site, Cl(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 ClBa3Y tetrahedra. In the third Cl site, Cl(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 ClBa3Y tetrahedra. In the fourth Cl site, Cl(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 Cl site, Cl(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 ClBa3Y tetrahedra. In the sixth Cl site, Cl(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 ClBa3Y tetrahedra. In the seventh Cl site, Cl(7) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom.