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DOE OSTI · 1686741

Materials Data on Sm5Ir2 by Materials Project

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Abstract

Sm5Ir2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 2-coordinate geometry to three equivalent Ir atoms. There are a spread of Sm–Ir bond distances ranging from 2.82–3.54 Å. In the second Sm site, Sm is bonded to four equivalent Ir atoms to form distorted edge-sharing SmIr4 tetrahedra. There are two shorter (2.95 Å) and two longer (2.99 Å) Sm–Ir bond lengths. In the third Sm site, Sm is bonded in a 3-coordinate geometry to three equivalent Ir atoms. There are a spread of Sm–Ir bond distances ranging from 2.88–3.17 Å. Ir is bonded in a 7-coordinate geometry to eight Sm atoms.

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36 MATERIALS SCIENCEcrystal structureIr-SmSm5Ir2

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2020-05-02. Materials Data on Sm5Ir2 by Materials Project. https://doi.org/10.17188/1686741

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