Materials Data on CdPPd5 by Materials Project

Abstract

Pd5CdP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to eight equivalent Pd and four equivalent Cd atoms. All Pd–Pd bond lengths are 2.91 Å. All Pd–Cd bond lengths are 2.81 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to seven Pd, two equivalent Cd, and two equivalent P atoms. All Pd–Pd bond lengths are 2.81 Å. Both Pd–Cd bond lengths are 2.91 Å. Both Pd–P bond lengths are 2.43 Å. Cd is bonded to twelve Pd atoms to form a mixture of corner and face-sharing CdPd12 cuboctahedra. P is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.