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DOE OSTI · 1663583

Materials Data on Yb5Pt4 by Materials Project

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Abstract

Yb5Pt4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded to six Pt atoms to form a mixture of distorted face, edge, and corner-sharing YbPt6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 38–41°. There are a spread of Yb–Pt bond distances ranging from 2.82–2.99 Å. In the second Yb site, Yb is bonded in a 7-coordinate geometry to seven Pt atoms. There are a spread of Yb–Pt bond distances ranging from 2.96–3.42 Å. In the third Yb site, Yb is bonded to six Pt atoms to form a mixture of distorted face and corner-sharing YbPt6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There are a spread of Yb–Pt bond distances ranging from 2.86–3.12 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to eight Yb and one Pt atom. The Pt–Pt bond length is 2.75 Å. In the second Pt site, Pt is bonded in a 7-coordinate geometry to eight Yb atoms. In the third Pt site, Pt is bonded in a 9-coordinate geometry to eight Yb and one Pt atom.

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36 MATERIALS SCIENCEcrystal structurePt-YbYb5Pt4

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2020-05-02. Materials Data on Yb5Pt4 by Materials Project. https://doi.org/10.17188/1663583

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36 MATERIALS SCIENCE↗