Sm2O2S crystallizes in the trigonal P-3m1 space group. Sm(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 Sm(1) atoms to form SSm6 octahedra that share corners with twelve equivalent O(1)Sm4 tetrahedra, edges with six equivalent S(1)Sm6 octahedra, and edges with six equivalent O(1)Sm4 tetrahedra. O(1) is bonded to four equivalent Sm(1) atoms to form OSm4 tetrahedra that share corners with six equivalent S(1)Sm6 octahedra, corners with six equivalent O(1)Sm4 tetrahedra, edges with three equivalent S(1)Sm6 octahedra, and edges with three equivalent O(1)Sm4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-50°.
Sm2O2S crystallizes in the trigonal P-3m1 space group. Sm(1) is bonded in a 7-coordinate geometry to three equivalent S(1) and four equivalent O(1) atoms. All Sm(1)-S(1) bond lengths are 2.94 Å. There are three shorter (2.33 Å) and one longer (2.34 Å) Sm(1)-O(1) bond length. S(1) is bonded to six equivalent Sm(1) atoms to form SSm6 octahedra that share corners with twelve equivalent O(1)Sm4 tetrahedra, edges with six equivalent S(1)Sm6 octahedra, and edges with six equivalent O(1)Sm4 tetrahedra. O(1) is bonded to four equivalent Sm(1) atoms to form OSm4 tetrahedra that share corners with six equivalent S(1)Sm6 octahedra, corners with six equivalent O(1)Sm4 tetrahedra, edges with three equivalent S(1)Sm6 octahedra, and edges with three equivalent O(1)Sm4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-50°.