Materials Data on TePb2Se by Materials Project
Pb2TeSe 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 Se2- atoms to form a mixture of corner and edge-sharing PbTe3Se3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–Te bond lengths are 3.26 Å. All Pb–Se bond lengths are 3.13 Å. Te2- is bonded to six equivalent Pb2+ atoms to form TePb6 octahedra that share corners with six equivalent SePb6 octahedra, edges with six equivalent TePb6 octahedra, and edges with six equivalent SePb6 octahedra. The corner-sharing octahedral tilt angles are 3°. Se2- is bonded to six equivalent Pb2+ atoms to form SePb6 octahedra that share corners with six equivalent TePb6 octahedra, edges with six equivalent TePb6 octahedra, and edges with six equivalent SePb6 octahedra. The corner-sharing octahedral tilt angles are 3°.