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DOE OSTI · 1726450

Materials Data on PrGa3Au by Materials Project

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Abstract

PrAuGa3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to four equivalent Au and twelve Ga atoms. All Pr–Au bond lengths are 3.40 Å. There are a spread of Pr–Ga bond distances ranging from 3.24–3.63 Å. Au is bonded in a 9-coordinate geometry to four equivalent Pr and five Ga atoms. There are one shorter (2.52 Å) and four longer (2.61 Å) Au–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted bent 120 degrees geometry to four equivalent Pr and two equivalent Au atoms. In the second Ga site, Ga is bonded in a distorted single-bond geometry to four equivalent Pr and one Au atom.

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36 MATERIALS SCIENCEAu-Ga-Prcrystal structurePrGa3Au

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2019-01-12. Materials Data on PrGa3Au by Materials Project. https://doi.org/10.17188/1726450

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