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DOE OSTI · 1355224

Materials Data on InSiPt5 by Materials Project

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Abstract

Pt5InSi crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a distorted square co-planar geometry to four equivalent In2+ atoms. All Pt–In bond lengths are 2.83 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a 4-coordinate geometry to two equivalent In2+ and two equivalent Si4+ atoms. Both Pt–In bond lengths are 2.92 Å. Both Pt–Si bond lengths are 2.47 Å. In2+ is bonded to twelve Pt+1.20- atoms to form a mixture of face and corner-sharing InPt12 cuboctahedra. Si4+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.

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36 MATERIALS SCIENCEcrystal structureIn-Pt-SiInSiPt5

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2020-07-15. Materials Data on InSiPt5 by Materials Project. https://doi.org/10.17188/1355224

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DOE OSTI2026

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