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DOE OSTI · 1281715

Materials Data on Pr5Ga3 by Materials Project

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Abstract

Pr5Ga3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Pr–Ga bond distances ranging from 3.14–3.42 Å. In the second Pr site, Pr is bonded to five Ga atoms to form distorted corner-sharing PrGa5 square pyramids. There are one shorter (3.18 Å) and four longer (3.22 Å) Pr–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to nine Pr atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight Pr and one Ga atom. The Ga–Ga bond length is 2.67 Å.

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36 MATERIALS SCIENCEcrystal structureGa-PrPr5Ga3

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2020-04-30. Materials Data on Pr5Ga3 by Materials Project. https://doi.org/10.17188/1281715

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