Materials Data on GaPd3 by Materials Project

Abstract

Pd3Ga 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 Ga atoms to form distorted PdGa4Pd8 cuboctahedra that share corners with four equivalent GaPd12 cuboctahedra, corners with fourteen equivalent PdGa4Pd8 cuboctahedra, edges with six equivalent GaPd12 cuboctahedra, edges with twelve equivalent PdGa4Pd8 cuboctahedra, faces with four equivalent GaPd12 cuboctahedra, and faces with sixteen equivalent PdGa4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.77–2.84 Å. There are two shorter (2.75 Å) and two longer (2.81 Å) Pd–Ga bond lengths. Ga is bonded to twelve equivalent Pd atoms to form GaPd12 cuboctahedra that share corners with six equivalent GaPd12 cuboctahedra, corners with twelve equivalent PdGa4Pd8 cuboctahedra, edges with eighteen equivalent PdGa4Pd8 cuboctahedra, faces with eight equivalent GaPd12 cuboctahedra, and faces with twelve equivalent PdGa4Pd8 cuboctahedra.