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DOE OSTI · 1266718

Materials Data on CePt5 by Materials Project

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Abstract

CePt5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce3+ is bonded in a distorted hexagonal planar geometry to eighteen Pt+0.60- atoms. There are six shorter (3.11 Å) and twelve longer (3.49 Å) Ce–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 3-coordinate geometry to three equivalent Ce3+ 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 Ce3+ and eight Pt+0.60- atoms to form a mixture of face, edge, and corner-sharing PtCe4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.69 Å.

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36 MATERIALS SCIENCECe-PtCePt5crystal structure

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2020-05-29. Materials Data on CePt5 by Materials Project. https://doi.org/10.17188/1266718

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