Nd2O3 crystallizes in the trigonal P-3m1 space group. Nd(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with six equivalent O(2)Nd6 octahedra, corners with six equivalent O(1)Nd4 tetrahedra, edges with three equivalent O(2)Nd6 octahedra, and edges with three equivalent O(1)Nd4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-56°. In the second O site, O(2) is bonded to six equivalent Nd(1) atoms to form ONd6 octahedra that share corners with twelve equivalent O(1)Nd4 tetrahedra, edges with six equivalent O(2)Nd6 octahedra, and edges with six equivalent O(1)Nd4 tetrahedra.
Nd2O3 crystallizes in the trigonal P-3m1 space group. Nd(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. All Nd(1)-O(2) bond lengths are 2.68 Å. There are three shorter (2.31 Å) and one longer (2.39 Å) Nd(1)-O(1) bond length. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with six equivalent O(2)Nd6 octahedra, corners with six equivalent O(1)Nd4 tetrahedra, edges with three equivalent O(2)Nd6 octahedra, and edges with three equivalent O(1)Nd4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-56°. In the second O site, O(2) is bonded to six equivalent Nd(1) atoms to form ONd6 octahedra that share corners with twelve equivalent O(1)Nd4 tetrahedra, edges with six equivalent O(2)Nd6 octahedra, and edges with six equivalent O(1)Nd4 tetrahedra.