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DOE OSTI · 1652082

Materials Data on ThAlPt by Materials Project

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Abstract

ThPtAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Th is bonded in a 5-coordinate geometry to five Pt atoms. There are four shorter (3.03 Å) and one longer (3.07 Å) Th–Pt bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Th and six equivalent Al atoms. All Pt–Al bond lengths are 2.70 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Al atoms. All Pt–Al bond lengths are 2.87 Å. Al is bonded in a 4-coordinate geometry to four Pt atoms.

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36 MATERIALS SCIENCEAl-Pt-Thcrystal structureThAlPt

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2020-07-16. Materials Data on ThAlPt by Materials Project. https://doi.org/10.17188/1652082

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