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DOE OSTI · 1191772

Materials Data on Si5Pt12 by Materials Project

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Abstract

Pt12Si5 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Pt+1.67- sites. In the first Pt+1.67- site, Pt+1.67- is bonded in a 12-coordinate geometry to four Si4+ atoms. There are a spread of Pt–Si bond distances ranging from 2.42–2.85 Å. In the second Pt+1.67- site, Pt+1.67- is bonded in a 2-coordinate geometry to four equivalent Si4+ atoms. There are a spread of Pt–Si bond distances ranging from 2.43–2.86 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a 10-coordinate geometry to ten Pt+1.67- atoms. In the second Si4+ site, Si4+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.67- atoms.

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36 MATERIALS SCIENCEcrystal structurePt-SiSi5Pt12

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2020-07-17. Materials Data on Si5Pt12 by Materials Project. https://doi.org/10.17188/1191772

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