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DOE OSTI · 1656045

Materials Data on Pr5Ga3 by Materials Project

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Abstract

Pr5Ga3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Pr–Ga bond distances ranging from 3.25–3.39 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to two equivalent Pr and four equivalent Ga atoms. Both Pr–Pr bond lengths are 2.91 Å. All Pr–Ga bond lengths are 3.20 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to ten Pr atoms. In the second Ga site, Ga is bonded in a 10-coordinate geometry to eight equivalent Pr and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.91 Å.

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36 MATERIALS SCIENCEcrystal structureGa-PrPr5Ga3

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2018-07-19. Materials Data on Pr5Ga3 by Materials Project. https://doi.org/10.17188/1656045

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