LiNd2O6 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing LiO6 octahedra. Nd(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Nd(1) and one O(3) atom. In the second O site, O(2) is bonded in a distorted pentagonal planar geometry to two equivalent Li(1), two equivalent Nd(1), and one O(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), three equivalent Nd(1), and one O(1) atom.
LiNd2O6 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing LiO6 octahedra. Both Li(1)-O(3) bond lengths are 2.01 Å. All Li(1)-O(2) bond lengths are 2.39 Å. Nd(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. There is one shorter (2.41 Å) and one longer (2.46 Å) Nd(1)-O(2) bond length. There are two shorter (2.41 Å) and one longer (2.64 Å) Nd(1)-O(3) bond length. There are two shorter (2.43 Å) and two longer (2.57 Å) Nd(1)-O(1) bond lengths. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Nd(1) and one O(3) atom. The O(1)-O(3) bond length is 1.89 Å. In the second O site, O(2) is bonded in a distorted pentagonal planar geometry to two equivalent Li(1), two equivalent Nd(1), and one O(2) atom. The O(2)-O(2) bond length is 1.50 Å. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), three equivalent Nd(1), and one O(1) atom.