Materials Data on BaBPd4 by Materials Project
BaPd4B crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 7-coordinate geometry to seven Pd atoms. There are a spread of Ba–Pd bond distances ranging from 3.13–3.42 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 1-coordinate geometry to two equivalent Ba and one B atom. The Pd–B bond length is 2.19 Å. In the second Pd site, Pd is bonded in a 1-coordinate geometry to three equivalent Ba and one B atom. The Pd–B bond length is 2.11 Å. In the third Pd site, Pd is bonded in a 2-coordinate geometry to one Ba and two equivalent B atoms. There are one shorter (2.19 Å) and one longer (2.22 Å) Pd–B bond lengths. B is bonded in a 6-coordinate geometry to six Pd atoms.