KDyI3 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 8-coordinate geometry to two equivalent I(2) and six equivalent I(1) atoms. Dy(1) is bonded to two equivalent I(2) and four equivalent I(1) atoms to form a mixture of corner and edge-sharing DyI6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 5-coordinate geometry to three equivalent K(1) and two equivalent Dy(1) atoms. In the second I site, I(2) is bonded to two equivalent K(1) and two equivalent Dy(1) atoms to form distorted corner-sharing IK2Dy2 tetrahedra.
KDyI3 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 8-coordinate geometry to two equivalent I(2) and six equivalent I(1) atoms. Both K(1)-I(2) bond lengths are 3.60 Å. There are four shorter (3.60 Å) and two longer (4.03 Å) K(1)-I(1) bond lengths. Dy(1) is bonded to two equivalent I(2) and four equivalent I(1) atoms to form a mixture of corner and edge-sharing DyI6 octahedra. The corner-sharing octahedral tilt angles are 42°. Both Dy(1)-I(2) bond lengths are 3.13 Å. All Dy(1)-I(1) bond lengths are 3.11 Å. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 5-coordinate geometry to three equivalent K(1) and two equivalent Dy(1) atoms. In the second I site, I(2) is bonded to two equivalent K(1) and two equivalent Dy(1) atoms to form distorted corner-sharing IK2Dy2 tetrahedra.