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DOE OSTI · 1199842

Materials Data on ScSn2 by Materials Project

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Abstract

ScSn2 is Zirconium Disilicide-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sc is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Sc–Sn bond distances ranging from 3.06–3.34 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Sc and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.99 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.03 Å. In the third Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent Sn atoms.

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36 MATERIALS SCIENCEcrystal structureSc-SnScSn2

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2020-07-15. Materials Data on ScSn2 by Materials Project. https://doi.org/10.17188/1199842

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