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DOE OSTI · 1691341

Materials Data on Pr5CuBi3 by Materials Project

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Abstract

Pr5CuBi3 crystallizes in the hexagonal P6_3/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 equivalent Bi atoms. All Pr–Bi bond lengths are 3.44 Å. In the second Pr site, Pr is bonded to two equivalent Cu and five equivalent Bi atoms to form a mixture of distorted face, edge, and corner-sharing PrCu2Bi5 pentagonal bipyramids. Both Pr–Cu bond lengths are 3.00 Å. There are a spread of Pr–Bi bond distances ranging from 3.29–3.54 Å. Cu is bonded to six equivalent Pr atoms to form face-sharing CuPr6 octahedra. Bi is bonded in a 9-coordinate geometry to nine Pr atoms.

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36 MATERIALS SCIENCEBi-Cu-Prcrystal structurePr5CuBi3

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2020-05-02. Materials Data on Pr5CuBi3 by Materials Project. https://doi.org/10.17188/1691341

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36 MATERIALS SCIENCE↗