Materials Data on Zr3Pd4 by Materials Project
Zr3Pd4 is delta Molybdenum Boride-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Zr is bonded in a 9-coordinate geometry to nine Pd atoms. There are a spread of Zr–Pd bond distances ranging from 2.73–3.09 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to six equivalent Zr atoms. In the second Pd site, Pd is bonded in a 6-coordinate geometry to six equivalent Zr atoms. In the third Pd site, Pd is bonded in a 7-coordinate geometry to seven equivalent Zr atoms.
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