Materials Data on SnTe2Pb by Materials Project
PbSnTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pb2+ is bonded to six equivalent Te2- atoms to form PbTe6 octahedra that share corners with six equivalent SnTe6 octahedra, edges with six equivalent PbTe6 octahedra, and edges with six equivalent SnTe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Pb–Te bond lengths are 3.28 Å. Sn2+ is bonded to six equivalent Te2- atoms to form SnTe6 octahedra that share corners with six equivalent PbTe6 octahedra, edges with six equivalent PbTe6 octahedra, and edges with six equivalent SnTe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Sn–Te bond lengths are 3.21 Å. Te2- is bonded to three equivalent Pb2+ and three equivalent Sn2+ atoms to form a mixture of corner and edge-sharing TeSn3Pb3 octahedra. The corner-sharing octahedral tilt angles are 0°.