Pr2O2S crystallizes in the trigonal P-3m1 space group. Pr(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 Pr(1) atoms to form SPr6 octahedra that share corners with twelve equivalent O(1)Pr4 tetrahedra, edges with six equivalent S(1)Pr6 octahedra, and edges with six equivalent O(1)Pr4 tetrahedra. O(1) is bonded to four equivalent Pr(1) atoms to form OPr4 tetrahedra that share corners with six equivalent S(1)Pr6 octahedra, corners with six equivalent O(1)Pr4 tetrahedra, edges with three equivalent S(1)Pr6 octahedra, and edges with three equivalent O(1)Pr4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-50°.
Pr2O2S crystallizes in the trigonal P-3m1 space group. Pr(1) is bonded in a 7-coordinate geometry to three equivalent S(1) and four equivalent O(1) atoms. All Pr(1)-S(1) bond lengths are 3.01 Å. All Pr(1)-O(1) bond lengths are 2.40 Å. S(1) is bonded to six equivalent Pr(1) atoms to form SPr6 octahedra that share corners with twelve equivalent O(1)Pr4 tetrahedra, edges with six equivalent S(1)Pr6 octahedra, and edges with six equivalent O(1)Pr4 tetrahedra. O(1) is bonded to four equivalent Pr(1) atoms to form OPr4 tetrahedra that share corners with six equivalent S(1)Pr6 octahedra, corners with six equivalent O(1)Pr4 tetrahedra, edges with three equivalent S(1)Pr6 octahedra, and edges with three equivalent O(1)Pr4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-50°.