Materials Data on TePdSe by Materials Project

PdSeTe crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Pd4+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form PdTe3Se3 octahedra that share corners with three equivalent TePd3Se3 octahedra, edges with three equivalent TePd3Se3 octahedra, and edges with six equivalent PdTe3Se3 octahedra. The corner-sharing octahedral tilt angles are 19°. All Pd–Te bond lengths are 2.68 Å. All Pd–Se bond lengths are 2.61 Å. Te2- is bonded to three equivalent Pd4+ and three equivalent Se2- atoms to form distorted TePd3Se3 octahedra that share corners with three equivalent PdTe3Se3 octahedra, edges with three equivalent PdTe3Se3 octahedra, and edges with six equivalent TePd3Se3 octahedra. The corner-sharing octahedral tilt angles are 19°. All Te–Se bond lengths are 3.37 Å. Se2- is bonded in a 6-coordinate geometry to three equivalent Pd4+ and three equivalent Te2- atoms.