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DOE OSTI · 1685578

Materials Data on SmSiPt3 by Materials Project

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Abstract

SmPt3Si is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Sm2+ is bonded to twelve Pt2- atoms to form a mixture of distorted face and corner-sharing SmPt12 cuboctahedra. There are a spread of Sm–Pt bond distances ranging from 2.98–3.49 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted bent 120 degrees geometry to four equivalent Sm2+ and two equivalent Si4+ atoms. Both Pt–Si bond lengths are 2.40 Å. In the second Pt2- site, Pt2- is bonded in a 1-coordinate geometry to four equivalent Sm2+ and one Si4+ atom. The Pt–Si bond length is 2.29 Å. Si4+ is bonded in a 5-coordinate geometry to five Pt2- atoms.

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36 MATERIALS SCIENCEcrystal structurePt-Si-SmSmSiPt3

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2019-01-12. Materials Data on SmSiPt3 by Materials Project. https://doi.org/10.17188/1685578

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