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DOE OSTI · 1728067

Materials Data on Pr5Sn4 by Materials Project

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Abstract

Pr5Sn4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Pr–Sn bond distances ranging from 3.16–3.39 Å. In the second Pr site, Pr is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Pr–Sn bond distances ranging from 3.30–3.86 Å. In the third Pr site, Pr is bonded to six Sn atoms to form corner-sharing PrSn6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Pr–Sn bond distances ranging from 3.23–3.44 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to eight Pr and one Sn atom. The Sn–Sn bond length is 3.06 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to eight Pr atoms. In the third Sn site, Sn is bonded in a 9-coordinate geometry to eight Pr and one Sn atom.

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36 MATERIALS SCIENCEcrystal structurePr-SnPr5Sn4

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2019-01-12. Materials Data on Pr5Sn4 by Materials Project. https://doi.org/10.17188/1728067

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