Ba2YI7 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 6-coordinate geometry to one I(1), one I(3), one I(4), one I(7), and two equivalent I(6) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one I(1), one I(2), one I(3), one I(5), one I(6), and one I(7) atom. Y(1) is bonded in an octahedral geometry to one I(1), one I(2), one I(3), one I(4), one I(5), and one I(6) atom. There are seven inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the second I site, I(2) is bonded in an L-shaped geometry to one Ba(2) and one Y(1) atom. In the third I site, I(3) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fourth I site, I(4) is bonded in an L-shaped geometry to one Ba(1) and one Y(1) atom. In the fifth I site, I(5) is bonded in a bent 120 degrees geometry to one Ba(2) and one Y(1) atom. In the sixth I site, I(6) is bonded in a distorted rectangular see-saw-like geometry to one Ba(2), two equivalent Ba(1), and one Y(1) atom. In the seventh I site, I(7) is bonded in a bent 150 degrees geometry to one Ba(1) and one Ba(2) atom.
Ba2YI7 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 6-coordinate geometry to one I(1), one I(3), one I(4), one I(7), and two equivalent I(6) atoms. The Ba(1)-I(1) bond length is 3.74 Å. The Ba(1)-I(3) bond length is 3.53 Å. The Ba(1)-I(4) bond length is 3.38 Å. The Ba(1)-I(7) bond length is 3.32 Å. There is one shorter (3.61 Å) and one longer (3.76 Å) Ba(1)-I(6) bond length. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one I(1), one I(2), one I(3), one I(5), one I(6), and one I(7) atom. The Ba(2)-I(1) bond length is 3.57 Å. The Ba(2)-I(2) bond length is 3.50 Å. The Ba(2)-I(3) bond length is 3.55 Å. The Ba(2)-I(5) bond length is 3.48 Å. The Ba(2)-I(6) bond length is 3.86 Å. The Ba(2)-I(7) bond length is 3.33 Å. Y(1) is bonded in an octahedral geometry to one I(1), one I(2), one I(3), one I(4), one I(5), and one I(6) atom. The Y(1)-I(1) bond length is 3.04 Å. The Y(1)-I(2) bond length is 3.00 Å. The Y(1)-I(3) bond length is 3.07 Å. The Y(1)-I(4) bond length is 3.02 Å. The Y(1)-I(5) bond length is 3.01 Å. The Y(1)-I(6) bond length is 3.13 Å. There are seven inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the second I site, I(2) is bonded in an L-shaped geometry to one Ba(2) and one Y(1) atom. In the third I site, I(3) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fourth I site, I(4) is bonded in an L-shaped geometry to one Ba(1) and one Y(1) atom. In the fifth I site, I(5) is bonded in a bent 120 degrees geometry to one Ba(2) and one Y(1) atom. In the sixth I site, I(6) is bonded in a distorted rectangular see-saw-like geometry to one Ba(2), two equivalent Ba(1), and one Y(1) atom. In the seventh I site, I(7) is bonded in a bent 150 degrees geometry to one Ba(1) and one Ba(2) atom.