Materials Data on TlPPd5 by Materials Project
Pd5TlP 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 Tl atoms. All Pd–Pd bond lengths are 2.94 Å. All Pd–Tl bond lengths are 2.83 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to seven Pd, two equivalent Tl, and two equivalent P atoms. There are one shorter (2.80 Å) and four longer (2.83 Å) Pd–Pd bond lengths. Both Pd–Tl bond lengths are 2.94 Å. Both Pd–P bond lengths are 2.44 Å. Tl is bonded to twelve Pd atoms to form a mixture of face and corner-sharing TlPd12 cuboctahedra. P is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.