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DOE OSTI · 1187047

Materials Data on PrPt5 by Materials Project

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Abstract

Pt5Pr crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a distorted hexagonal planar geometry to eighteen Pt+0.60- atoms. There are six shorter (3.14 Å) and twelve longer (3.51 Å) Pr–Pt bond lengths. There are two inequivalent Pt+0.60- sites. In the first Pt+0.60- site, Pt+0.60- is bonded in a 12-coordinate geometry to three equivalent Pr3+ and six equivalent Pt+0.60- atoms. All Pt–Pt bond lengths are 2.72 Å. In the second Pt+0.60- site, Pt+0.60- is bonded to four equivalent Pr3+ and eight Pt+0.60- atoms to form a mixture of corner, edge, and face-sharing PtPr4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.72 Å.

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36 MATERIALS SCIENCEcrystal structurePr-PtPrPt5

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2020-07-16. Materials Data on PrPt5 by Materials Project. https://doi.org/10.17188/1187047

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