LiNdO2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. Nd(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing NdO6 octahedra. The corner-sharing octahedral tilt angles range from 20-52°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Nd(1) atoms to form distorted OLiNd3 tetrahedra that share corners with seven equivalent O(2)Li2Nd3 square pyramids, corners with four equivalent O(1)LiNd3 tetrahedra, edges with two equivalent O(2)Li2Nd3 square pyramids, and  an edgeedge with one O(1)LiNd3 tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1) and three equivalent Nd(1) atoms to form distorted OLi2Nd3 square pyramids that share corners with two equivalent O(2)Li2Nd3 square pyramids, corners with seven equivalent O(1)LiNd3 tetrahedra, edges with three equivalent O(2)Li2Nd3 square pyramids, and edges with two equivalent O(1)LiNd3 tetrahedra.
LiNdO2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. The Li(1)-O(1) bond length is 1.86 Å. There is one shorter (1.92 Å) and one longer (1.94 Å) Li(1)-O(2) bond length. Nd(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing NdO6 octahedra. The corner-sharing octahedral tilt angles range from 20-52°. There are a spread of Nd(1)-O(1) bond distances ranging from 2.31-2.40 Å. There are a spread of Nd(1)-O(2) bond distances ranging from 2.40-2.49 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Nd(1) atoms to form distorted OLiNd3 tetrahedra that share corners with seven equivalent O(2)Li2Nd3 square pyramids, corners with four equivalent O(1)LiNd3 tetrahedra, edges with two equivalent O(2)Li2Nd3 square pyramids, and  an edgeedge with one O(1)LiNd3 tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1) and three equivalent Nd(1) atoms to form distorted OLi2Nd3 square pyramids that share corners with two equivalent O(2)Li2Nd3 square pyramids, corners with seven equivalent O(1)LiNd3 tetrahedra, edges with three equivalent O(2)Li2Nd3 square pyramids, and edges with two equivalent O(1)LiNd3 tetrahedra.