Materials Data on La3(ZnPd)4 by Materials Project

Abstract

La3(PdZn)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to six Pd atoms to form edge-sharing LaPd6 octahedra. There are four shorter (3.11 Å) and two longer (3.14 Å) La–Pd bond lengths. In the second La site, La is bonded in a 12-coordinate geometry to six Pd and six equivalent Zn atoms. There are two shorter (3.07 Å) and four longer (3.19 Å) La–Pd bond lengths. All La–Zn bond lengths are 3.20 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three La and six equivalent Zn atoms. There are four shorter (2.63 Å) and two longer (2.83 Å) Pd–Zn bond lengths. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six La, one Pd, and two equivalent Zn atoms. The Pd–Pd bond length is 2.95 Å. Both Pd–Zn bond lengths are 2.65 Å. Zn is bonded in a 4-coordinate geometry to three equivalent La and four Pd atoms.