Materials Data on Eu3Pd by Materials Project

Abstract

Eu3Pd is H-Phase-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted T-shaped geometry to three equivalent Eu and three equivalent Pd atoms. All Eu–Eu bond lengths are 4.11 Å. All Eu–Pd bond lengths are 2.95 Å. In the second Eu site, Eu is bonded to twelve Eu atoms to form EuEu12 cuboctahedra that share corners with six equivalent EuEu12 cuboctahedra, corners with six equivalent PdEu6 octahedra, edges with six equivalent EuEu12 cuboctahedra, edges with six equivalent PdEu6 octahedra, and faces with six equivalent EuEu12 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. All Eu–Eu bond lengths are 4.16 Å. In the third Eu site, Eu is bonded in a distorted T-shaped geometry to three equivalent Eu and three equivalent Pd atoms. All Eu–Eu bond lengths are 4.11 Å. All Eu–Pd bond lengths are 2.95 Å. In the fourth Eu site, Eu is bonded to sixteen Eu atoms to form EuEu16 cuboctahedra that share corners with six equivalent EuEu16 cuboctahedra, corners with six equivalent PdEu6 octahedra, edges with ten equivalent EuEu16 cuboctahedra, edges with six equivalent PdEu6 octahedra, and faces with sixteen equivalent EuEu16 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. There are a spread of Eu–Eu bond distances ranging from 4.11–8.32 Å. In the fifth Eu site, Eu is bonded in a distorted T-shaped geometry to three equivalent Eu and three equivalent Pd atoms. All Eu–Pd bond lengths are 2.95 Å. Pd is bonded to six equivalent Eu atoms to form PdEu6 octahedra that share corners with six equivalent EuEu12 cuboctahedra, edges with six equivalent EuEu12 cuboctahedra, and edges with six equivalent PdEu6 octahedra.