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Materials Data on BaGe3Pd by Materials Project

BaPdGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to five equivalent Pd and twelve Ge atoms. There are four shorter (3.61 Å) and one longer (3.76 Å) Ba–Pd bond lengths. There are a spread of Ba–Ge bond distances ranging from 3.43–3.54 Å. Pd is bonded in a 5-coordinate geometry to five equivalent Ba and five Ge atoms. There are four shorter (2.56 Å) and one longer (2.63 Å) Pd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Pd, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.78 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Ba, one Pd, and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ba2Ge4Pd5 by Materials Project

Ba2Pd5Ge4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Ba is bonded in a 7-coordinate geometry to five Pd and two equivalent Ge atoms. There are a spread of Ba–Pd bond distances ranging from 3.30–3.51 Å. Both Ba–Ge bond lengths are 3.41 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to two equivalent Ba and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.61 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to two equivalent Ba and four equivalent Ge atoms. There are two shorter (2.52 Å) and two longer (2.59 Å) Pd–Ge bond lengths. In the third Pd site, Pd is bonded in a 4-coordinate geometry to two equivalent Ba and four equivalent Ge atoms. There are two shorter (2.50 Å) and two longer (2.58 Å) Pd–Ge bond lengths. Ge is bonded in a 6-coordinate geometry to one Ba and five Pd atoms.

36 MATERIALS SCIENCE↗