Materials Data on Zr4Pd by Materials Project
Zr4Pd crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to four equivalent Zr and four equivalent Pd atoms. All Zr–Zr bond lengths are 3.15 Å. All Zr–Pd bond lengths are 2.91 Å. In the second Zr site, Zr is bonded to twelve Zr atoms to form a mixture of corner, edge, and face-sharing ZrZr12 cuboctahedra. There are four shorter (3.18 Å) and four longer (3.30 Å) Zr–Zr bond lengths. Pd is bonded in a body-centered cubic geometry to eight equivalent Zr atoms.
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