Nd2O2S crystallizes in the trigonal P-3m1 space group. Nd(1) is bonded in a 7-coordinate geometry to three equivalent S(1) and four equivalent O(1) atoms. S(1) is bonded to six equivalent Nd(1) atoms to form SNd6 octahedra that share corners with twelve equivalent O(1)Nd4 tetrahedra, edges with six equivalent S(1)Nd6 octahedra, and edges with six equivalent O(1)Nd4 tetrahedra. O(1) is bonded to four equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with six equivalent S(1)Nd6 octahedra, corners with six equivalent O(1)Nd4 tetrahedra, edges with three equivalent S(1)Nd6 octahedra, and edges with three equivalent O(1)Nd4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-50°.
Nd2O2S crystallizes in the trigonal P-3m1 space group. Nd(1) is bonded in a 7-coordinate geometry to three equivalent S(1) and four equivalent O(1) atoms. All Nd(1)-S(1) bond lengths are 2.99 Å. There are three shorter (2.37 Å) and one longer (2.38 Å) Nd(1)-O(1) bond length. S(1) is bonded to six equivalent Nd(1) atoms to form SNd6 octahedra that share corners with twelve equivalent O(1)Nd4 tetrahedra, edges with six equivalent S(1)Nd6 octahedra, and edges with six equivalent O(1)Nd4 tetrahedra. O(1) is bonded to four equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with six equivalent S(1)Nd6 octahedra, corners with six equivalent O(1)Nd4 tetrahedra, edges with three equivalent S(1)Nd6 octahedra, and edges with three equivalent O(1)Nd4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-50°.