Materials Data on SbPdSe by Materials Project
PdSbSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pd4+ is bonded to three equivalent Sb2- and three equivalent Se2- atoms to form PdSb3Se3 octahedra that share corners with twelve equivalent PdSb3Se3 octahedra, corners with three equivalent SbPd3Se tetrahedra, and corners with three equivalent SeSbPd3 tetrahedra. The corner-sharing octahedra tilt angles range from 63–64°. All Pd–Sb bond lengths are 2.69 Å. All Pd–Se bond lengths are 2.66 Å. Sb2- is bonded to three equivalent Pd4+ and one Se2- atom to form distorted SbPd3Se tetrahedra that share corners with three equivalent PdSb3Se3 octahedra, corners with six equivalent SbPd3Se tetrahedra, and corners with nine equivalent SeSbPd3 tetrahedra. The corner-sharing octahedral tilt angles are 78°. The Sb–Se bond length is 2.69 Å. Se2- is bonded to three equivalent Pd4+ and one Sb2- atom to form SeSbPd3 tetrahedra that share corners with three equivalent PdSb3Se3 octahedra, corners with six equivalent SeSbPd3 tetrahedra, and corners with nine equivalent SbPd3Se tetrahedra. The corner-sharing octahedral tilt angles are 79°.