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DOE OSTI · 1753015

Materials Data on Pr3In5 by Materials Project

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Abstract

Pr3In5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Pr–In bond distances ranging from 3.20–3.62 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to ten In atoms. There are a spread of Pr–In bond distances ranging from 3.31–3.61 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to five Pr and two equivalent In atoms. Both In–In bond lengths are 3.25 Å. In the second In site, In is bonded in a 10-coordinate geometry to six Pr and four In atoms. There are two shorter (3.06 Å) and one longer (3.41 Å) In–In bond lengths. In the third In site, In is bonded in a 3-coordinate geometry to six Pr and two equivalent In atoms.

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36 MATERIALS SCIENCEcrystal structureIn-PrPr3In5

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2020-05-03. Materials Data on Pr3In5 by Materials Project. https://doi.org/10.17188/1753015

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