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DOE OSTI · 1685634

Materials Data on Sm5Si3 by Materials Project

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Abstract

Sm5Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Sm+2.40+ sites. In the first Sm+2.40+ site, Sm+2.40+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, face, and corner-sharing SmSi6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Sm–Si bond lengths are 3.14 Å. In the second Sm+2.40+ site, Sm+2.40+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of Sm–Si bond distances ranging from 2.98–3.52 Å. Si4- is bonded in a 9-coordinate geometry to nine Sm+2.40+ atoms.

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36 MATERIALS SCIENCEcrystal structureSi-SmSm5Si3

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2020-05-03. Materials Data on Sm5Si3 by Materials Project. https://doi.org/10.17188/1685634

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