LiIO3 is Corundum-derived structured and crystallizes in the hexagonal P6_322 space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent I(1)O6 octahedra, edges with three equivalent I(1)O6 octahedra, and faces with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent I(1) atoms. I(1) is bonded to six equivalent O(1) atoms to form IO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, corners with six equivalent I(1)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°.
LiIO3 is Corundum-derived structured and crystallizes in the hexagonal P6_322 space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent I(1)O6 octahedra, edges with three equivalent I(1)O6 octahedra, and faces with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li(1)-O(1) bond lengths are 2.10 Å. O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent I(1) atoms. Both O(1)-I(1) bond lengths are 2.13 Å. I(1) is bonded to six equivalent O(1) atoms to form IO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, corners with six equivalent I(1)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°.