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DOE OSTI · 1694693

Materials Data on Ca5Pd2 by Materials Project

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Abstract

Ca5Pd2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 2-coordinate geometry to three equivalent Pd atoms. There are a spread of Ca–Pd bond distances ranging from 2.92–3.58 Å. In the second Ca site, Ca is bonded to four equivalent Pd atoms to form distorted edge-sharing CaPd4 tetrahedra. There are two shorter (3.05 Å) and two longer (3.06 Å) Ca–Pd bond lengths. In the third Ca site, Ca is bonded in a 3-coordinate geometry to three equivalent Pd atoms. There are a spread of Ca–Pd bond distances ranging from 2.97–3.21 Å. Pd is bonded in a 7-coordinate geometry to eight Ca atoms.

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36 MATERIALS SCIENCECa-PdCa5Pd2crystal structure

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2020-05-04. Materials Data on Ca5Pd2 by Materials Project. https://doi.org/10.17188/1694693

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