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DOE OSTI · 1686940

Materials Data on KPr3 by Materials Project

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Abstract

KPr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded to twelve Pr atoms to form a mixture of face and corner-sharing KPr12 cuboctahedra. There are six shorter (3.88 Å) and six longer (3.99 Å) K–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to four equivalent K and eight Pr atoms. There are a spread of Pr–Pr bond distances ranging from 3.68–4.27 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to four equivalent K and eight equivalent Pr atoms.

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36 MATERIALS SCIENCEcrystal structureK-PrKPr3

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2020-05-02. Materials Data on KPr3 by Materials Project. https://doi.org/10.17188/1686940

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