PbTePbS is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Pb(1) is bonded to three equivalent Te(1) and three equivalent S(1) atoms to form a mixture of edge and corner-sharing PbTe3S3 octahedra. The corner-sharing octahedra are not tilted. Te(1) is bonded to six equivalent Pb(1) atoms to form TePb6 octahedra that share corners with six equivalent S(1)Pb6 octahedra, edges with six equivalent Te(1)Pb6 octahedra, and edges with six equivalent S(1)Pb6 octahedra. The corner-sharing octahedral tilt angles are 5°. S(1) is bonded to six equivalent Pb(1) atoms to form SPb6 octahedra that share corners with six equivalent Te(1)Pb6 octahedra, edges with six equivalent Te(1)Pb6 octahedra, and edges with six equivalent S(1)Pb6 octahedra. The corner-sharing octahedral tilt angles are 5°.
PbTePbS is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Pb(1) is bonded to three equivalent Te(1) and three equivalent S(1) atoms to form a mixture of edge and corner-sharing PbTe3S3 octahedra. The corner-sharing octahedra are not tilted. All Pb(1)-Te(1) bond lengths are 3.25 Å. All Pb(1)-S(1) bond lengths are 3.04 Å. Te(1) is bonded to six equivalent Pb(1) atoms to form TePb6 octahedra that share corners with six equivalent S(1)Pb6 octahedra, edges with six equivalent Te(1)Pb6 octahedra, and edges with six equivalent S(1)Pb6 octahedra. The corner-sharing octahedral tilt angles are 5°. S(1) is bonded to six equivalent Pb(1) atoms to form SPb6 octahedra that share corners with six equivalent Te(1)Pb6 octahedra, edges with six equivalent Te(1)Pb6 octahedra, and edges with six equivalent S(1)Pb6 octahedra. The corner-sharing octahedral tilt angles are 5°.