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DOE OSTI · 1205200

Materials Data on Sr7Pt3 by Materials Project

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Abstract

Sr7Pt3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded to four Pt atoms to form a mixture of distorted edge and corner-sharing SrPt4 tetrahedra. There are a spread of Sr–Pt bond distances ranging from 3.18–3.32 Å. In the second Sr site, Sr is bonded in a 3-coordinate geometry to three equivalent Pt atoms. There are a spread of Sr–Pt bond distances ranging from 3.07–3.29 Å. In the third Sr site, Sr is bonded in a bent 150 degrees geometry to two equivalent Pt atoms. There are one shorter (3.05 Å) and one longer (3.06 Å) Sr–Pt bond lengths. In the fourth Sr site, Sr is bonded in a 3-coordinate geometry to three Pt atoms. There are a spread of Sr–Pt bond distances ranging from 3.07–3.57 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to seven Sr atoms to form a mixture of distorted edge and corner-sharing PtSr7 pentagonal bipyramids. In the second Pt site, Pt is bonded in a 8-coordinate geometry to eight Sr atoms.

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36 MATERIALS SCIENCEcrystal structurePt-SrSr7Pt3

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2020-05-01. Materials Data on Sr7Pt3 by Materials Project. https://doi.org/10.17188/1205200

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