Materials Data on TePb2S by Materials Project

PbTePbS is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pb2+ is bonded to three equivalent Te2- and three equivalent S2- atoms to form a mixture of edge and corner-sharing PbTe3S3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–Te bond lengths are 3.25 Å. All Pb–S bond lengths are 3.04 Å. Te2- is bonded to six equivalent Pb2+ atoms to form TePb6 octahedra that share corners with six equivalent SPb6 octahedra, edges with six equivalent TePb6 octahedra, and edges with six equivalent SPb6 octahedra. The corner-sharing octahedral tilt angles are 5°. S2- is bonded to six equivalent Pb2+ atoms to form SPb6 octahedra that share corners with six equivalent TePb6 octahedra, edges with six equivalent TePb6 octahedra, and edges with six equivalent SPb6 octahedra. The corner-sharing octahedral tilt angles are 5°.