Materials Data on BiPdSe by Materials Project

Abstract

PdBiSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pd is bonded to three equivalent Bi and three equivalent Se atoms to form PdBi3Se3 octahedra that share corners with twelve equivalent PdBi3Se3 octahedra, corners with three equivalent BiPd3Se trigonal pyramids, and corners with three equivalent SeBiPd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. All Pd–Bi bond lengths are 2.77 Å. All Pd–Se bond lengths are 2.66 Å. Bi is bonded to three equivalent Pd and one Se atom to form distorted BiPd3Se trigonal pyramids that share corners with three equivalent PdBi3Se3 octahedra, corners with six equivalent BiPd3Se trigonal pyramids, and corners with nine equivalent SeBiPd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The Bi–Se bond length is 2.80 Å. Se is bonded to three equivalent Pd and one Bi atom to form SeBiPd3 trigonal pyramids that share corners with three equivalent PdBi3Se3 octahedra, corners with six equivalent SeBiPd3 trigonal pyramids, and corners with nine equivalent BiPd3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.