Materials Data on Ce5Ge2Pd by Materials Project

Abstract

Ce5PdGe2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to two equivalent Pd and four equivalent Ge atoms to form corner-sharing CeGe4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°. Both Ce–Pd bond lengths are 3.26 Å. All Ce–Ge bond lengths are 3.11 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to two equivalent Pd and three equivalent Ge atoms. Both Ce–Pd bond lengths are 3.13 Å. There are one shorter (3.00 Å) and two longer (3.13 Å) Ce–Ge bond lengths. Pd is bonded in a distorted q6 geometry to ten Ce atoms. Ge is bonded in a 9-coordinate geometry to eight Ce and one Ge atom. The Ge–Ge bond length is 2.68 Å.