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DOE OSTI · 1674048

Materials Data on Pr7Pd3 by Materials Project

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Abstract

Pr7Pd3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are five inequivalent Pr sites. In the first Pr site, Pr is bonded in a 3-coordinate geometry to three Pd atoms. There are two shorter (3.01 Å) and one longer (3.02 Å) Pr–Pd bond lengths. In the second Pr site, Pr is bonded in a 3-coordinate geometry to three Pd atoms. There are two shorter (2.98 Å) and one longer (3.13 Å) Pr–Pd bond lengths. In the third Pr site, Pr is bonded in a 3-coordinate geometry to three Pd atoms. There are a spread of Pr–Pd bond distances ranging from 2.99–3.12 Å. In the fourth Pr site, Pr is bonded in a distorted water-like geometry to two equivalent Pd atoms. Both Pr–Pd bond lengths are 2.95 Å. In the fifth Pr site, Pr is bonded in a distorted water-like geometry to two Pd atoms. There are one shorter (2.96 Å) and one longer (2.97 Å) Pr–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to six Pr atoms. In the second Pd site, Pd is bonded in a 6-coordinate geometry to six Pr atoms.

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36 MATERIALS SCIENCEcrystal structurePd-PrPr7Pd3

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2018-07-19. Materials Data on Pr7Pd3 by Materials Project. https://doi.org/10.17188/1674048

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