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DOE OSTI · 1725191

Materials Data on GaPt3 by Materials Project

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Abstract

Pt3Ga crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded in a 10-coordinate geometry to ten Pt+0.67- atoms. There are a spread of Pt–Pt bond distances ranging from 2.76–2.88 Å. In the second Pt+0.67- site, Pt+0.67- is bonded in a 4-coordinate geometry to four equivalent Pt+0.67- and four equivalent Ga2+ atoms. There are two shorter (2.62 Å) and two longer (2.85 Å) Pt–Ga bond lengths. In the third Pt+0.67- site, Pt+0.67- is bonded in a 10-coordinate geometry to four equivalent Pt+0.67- and four equivalent Ga2+ atoms. There are two shorter (2.57 Å) and two longer (2.98 Å) Pt–Ga bond lengths. Ga2+ is bonded in a distorted body-centered cubic geometry to eight Pt+0.67- atoms.

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36 MATERIALS SCIENCEcrystal structureGa-PtGaPt3

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2019-01-11. Materials Data on GaPt3 by Materials Project. https://doi.org/10.17188/1725191

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