Materials Data on SbPd3 by Materials Project

Abstract

Pd3Sb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent Sb atoms to form PdSb4Pd8 cuboctahedra that share corners with four equivalent SbPd12 cuboctahedra, corners with fourteen equivalent PdSb4Pd8 cuboctahedra, edges with six equivalent SbPd12 cuboctahedra, edges with twelve equivalent PdSb4Pd8 cuboctahedra, faces with four equivalent SbPd12 cuboctahedra, and faces with sixteen equivalent PdSb4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.86–2.88 Å. There are two shorter (2.86 Å) and two longer (2.88 Å) Pd–Sb bond lengths. Sb is bonded to twelve equivalent Pd atoms to form SbPd12 cuboctahedra that share corners with six equivalent SbPd12 cuboctahedra, corners with twelve equivalent PdSb4Pd8 cuboctahedra, edges with eighteen equivalent PdSb4Pd8 cuboctahedra, faces with eight equivalent SbPd12 cuboctahedra, and faces with twelve equivalent PdSb4Pd8 cuboctahedra.