LiDyO2 is Ilmenite-like structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent Dy(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with three equivalent Dy(1)O6 octahedra, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 6-74°. Dy(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form DyO6 octahedra that share corners with four equivalent Dy(1)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra, edges with four equivalent Dy(1)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Dy(1) atoms to form distorted OLiDy3 trigonal pyramids that share corners with six equivalent O(2)Li3Dy3 octahedra, corners with six equivalent O(1)LiDy3 trigonal pyramids, and edges with three equivalent O(2)Li3Dy3 octahedra. The corner-sharing octahedral tilt angles range from 1-81°. In the second O site, O(2) is bonded to three equivalent Li(1) and three equivalent Dy(1) atoms to form distorted OLi3Dy3 octahedra that share corners with six equivalent O(1)LiDy3 trigonal pyramids, edges with six equivalent O(2)Li3Dy3 octahedra, and edges with three equivalent O(1)LiDy3 trigonal pyramids.
LiDyO2 is Ilmenite-like structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent Dy(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with three equivalent Dy(1)O6 octahedra, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 6-74°. The Li(1)-O(1) bond length is 1.90 Å. There is one shorter (1.92 Å) and two longer (2.14 Å) Li(1)-O(2) bond lengths. Dy(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form DyO6 octahedra that share corners with four equivalent Dy(1)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra, edges with four equivalent Dy(1)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There is one shorter (2.20 Å) and two longer (2.22 Å) Dy(1)-O(1) bond lengths. There are two shorter (2.35 Å) and one longer (2.41 Å) Dy(1)-O(2) bond length. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Dy(1) atoms to form distorted OLiDy3 trigonal pyramids that share corners with six equivalent O(2)Li3Dy3 octahedra, corners with six equivalent O(1)LiDy3 trigonal pyramids, and edges with three equivalent O(2)Li3Dy3 octahedra. The corner-sharing octahedral tilt angles range from 1-81°. In the second O site, O(2) is bonded to three equivalent Li(1) and three equivalent Dy(1) atoms to form distorted OLi3Dy3 octahedra that share corners with six equivalent O(1)LiDy3 trigonal pyramids, edges with six equivalent O(2)Li3Dy3 octahedra, and edges with three equivalent O(1)LiDy3 trigonal pyramids.