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DOE OSTI · 1725129

Materials Data on SiPt3 by Materials Project

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Abstract

Pt3Si crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Pt+1.33+ sites. In the first Pt+1.33+ site, Pt+1.33+ is bonded in a water-like geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.45 Å. In the second Pt+1.33+ site, Pt+1.33+ is bonded in a square co-planar geometry to four Si4- atoms. All Pt–Si bond lengths are 2.75 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 8-coordinate geometry to eight Pt+1.33+ atoms. In the second Si4- site, Si4- is bonded in a distorted body-centered cubic geometry to eight Pt+1.33+ atoms. All Si–Pt bond lengths are 2.45 Å.

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36 MATERIALS SCIENCEcrystal structurePt-SiSiPt3

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2020-05-02. Materials Data on SiPt3 by Materials Project. https://doi.org/10.17188/1725129

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