BaYI5 crystallizes in the orthorhombic P2_12_12_1 space group. Ba(1) is bonded in a 9-coordinate geometry to one I(5), two equivalent I(1), two equivalent I(2), two equivalent I(3), and two equivalent I(4) atoms. Y(1) is bonded to one I(1), one I(2), one I(3), one I(4), and two equivalent I(5) atoms to form corner-sharing YI6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are five inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Y(1) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Y(1) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Y(1) atom. In the fourth I site, I(4) is bonded in a distorted water-like geometry to two equivalent Ba(1) and one Y(1) atom. In the fifth I site, I(5) is bonded in a trigonal planar geometry to one Ba(1) and two equivalent Y(1) atoms.
BaYI5 crystallizes in the orthorhombic P2_12_12_1 space group. Ba(1) is bonded in a 9-coordinate geometry to one I(5), two equivalent I(1), two equivalent I(2), two equivalent I(3), and two equivalent I(4) atoms. The Ba(1)-I(5) bond length is 3.67 Å. There is one shorter (3.42 Å) and one longer (3.84 Å) Ba(1)-I(1) bond length. There is one shorter (3.52 Å) and one longer (4.08 Å) Ba(1)-I(2) bond length. There is one shorter (3.78 Å) and one longer (3.96 Å) Ba(1)-I(3) bond length. There is one shorter (3.70 Å) and one longer (4.19 Å) Ba(1)-I(4) bond length. Y(1) is bonded to one I(1), one I(2), one I(3), one I(4), and two equivalent I(5) atoms to form corner-sharing YI6 octahedra. The corner-sharing octahedral tilt angles are 50°. The Y(1)-I(1) bond length is 3.00 Å. The Y(1)-I(2) bond length is 3.00 Å. The Y(1)-I(3) bond length is 2.98 Å. The Y(1)-I(4) bond length is 2.97 Å. There is one shorter (3.11 Å) and one longer (3.14 Å) Y(1)-I(5) bond length. There are five inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Y(1) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Y(1) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Y(1) atom. In the fourth I site, I(4) is bonded in a distorted water-like geometry to two equivalent Ba(1) and one Y(1) atom. In the fifth I site, I(5) is bonded in a trigonal planar geometry to one Ba(1) and two equivalent Y(1) atoms.