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DOE OSTI · 1675598

Materials Data on Sc5Si3 by Materials Project

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Abstract

Sc5Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Sc+2.40+ sites. In the first Sc+2.40+ site, Sc+2.40+ is bonded in a trigonal planar geometry to three Si4- atoms. All Sc–Si bond lengths are 2.64 Å. In the second Sc+2.40+ site, Sc+2.40+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Sc–Si bond distances ranging from 2.77–3.14 Å. In the third Sc+2.40+ site, Sc+2.40+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Sc–Si bond distances ranging from 2.77–3.13 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 7-coordinate geometry to seven Sc+2.40+ atoms. In the second Si4- site, Si4- is bonded in a 7-coordinate geometry to seven Sc+2.40+ atoms.

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36 MATERIALS SCIENCEcrystal structureSc-SiSc5Si3

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2020-05-03. Materials Data on Sc5Si3 by Materials Project. https://doi.org/10.17188/1675598

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