Nd2O5 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Nd(1) and one O(3) atom. In the second O site, O(2) is bonded to four equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with eight equivalent O(3)Nd3O tetrahedra, edges with two equivalent O(3)Nd3O tetrahedra, and edges with two equivalent O(2)Nd4 tetrahedra. In the third O site, O(3) is bonded to three equivalent Nd(1) and one O(1) atom to form distorted ONd3O tetrahedra that share corners with two equivalent O(3)Nd3O tetrahedra, corners with four equivalent O(2)Nd4 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra, and edges with two equivalent O(3)Nd3O tetrahedra.
Nd2O5 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. There is one shorter (2.31 Å) and one longer (2.36 Å) Nd(1)-O(2) bond length. There are a spread of Nd(1)-O(1) bond distances ranging from 2.44-2.58 Å. There are a spread of Nd(1)-O(3) bond distances ranging from 2.42-2.63 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Nd(1) and one O(3) atom. The O(1)-O(3) bond length is 1.49 Å. In the second O site, O(2) is bonded to four equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with eight equivalent O(3)Nd3O tetrahedra, edges with two equivalent O(3)Nd3O tetrahedra, and edges with two equivalent O(2)Nd4 tetrahedra. In the third O site, O(3) is bonded to three equivalent Nd(1) and one O(1) atom to form distorted ONd3O tetrahedra that share corners with two equivalent O(3)Nd3O tetrahedra, corners with four equivalent O(2)Nd4 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra, and edges with two equivalent O(3)Nd3O tetrahedra.