LiGdO2 is Ilmenite-like structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent Gd(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with three equivalent Gd(1)O6 octahedra, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 7-72°. Gd(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form GdO6 octahedra that share corners with four equivalent Gd(1)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra, edges with four equivalent Gd(1)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Gd(1) atoms to form distorted OLi3Gd3 octahedra that share corners with six equivalent O(2)LiGd3 trigonal pyramids, edges with six equivalent O(1)Li3Gd3 octahedra, and edges with three equivalent O(2)LiGd3 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1) and three equivalent Gd(1) atoms to form distorted OLiGd3 trigonal pyramids that share corners with six equivalent O(1)Li3Gd3 octahedra, corners with six equivalent O(2)LiGd3 trigonal pyramids, and edges with three equivalent O(1)Li3Gd3 octahedra. The corner-sharing octahedral tilt angles range from 3-80°.
LiGdO2 is Ilmenite-like structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent Gd(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with three equivalent Gd(1)O6 octahedra, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 7-72°. The Li(1)-O(2) bond length is 1.90 Å. There is one shorter (1.92 Å) and two longer (2.17 Å) Li(1)-O(1) bond lengths. Gd(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form GdO6 octahedra that share corners with four equivalent Gd(1)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra, edges with four equivalent Gd(1)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. There are two shorter (2.39 Å) and one longer (2.45 Å) Gd(1)-O(1) bond length. There is one shorter (2.24 Å) and two longer (2.26 Å) Gd(1)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Gd(1) atoms to form distorted OLi3Gd3 octahedra that share corners with six equivalent O(2)LiGd3 trigonal pyramids, edges with six equivalent O(1)Li3Gd3 octahedra, and edges with three equivalent O(2)LiGd3 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1) and three equivalent Gd(1) atoms to form distorted OLiGd3 trigonal pyramids that share corners with six equivalent O(1)Li3Gd3 octahedra, corners with six equivalent O(2)LiGd3 trigonal pyramids, and edges with three equivalent O(1)Li3Gd3 octahedra. The corner-sharing octahedral tilt angles range from 3-80°.