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DOE OSTI · 1276901

Materials Data on Gd5CuBi3 by Materials Project

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Abstract

Gd5CuBi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded to two equivalent Cu and five equivalent Bi atoms to form a mixture of distorted edge, face, and corner-sharing GdCu2Bi5 pentagonal bipyramids. Both Gd–Cu bond lengths are 2.90 Å. There are a spread of Gd–Bi bond distances ranging from 3.21–3.49 Å. In the second Gd site, Gd is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All Gd–Bi bond lengths are 3.35 Å. Cu is bonded to six equivalent Gd atoms to form face-sharing CuGd6 octahedra. Bi is bonded in a 9-coordinate geometry to nine Gd atoms.

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36 MATERIALS SCIENCEBi-Cu-Gdcrystal structureGd5CuBi3

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2020-06-05. Materials Data on Gd5CuBi3 by Materials Project. https://doi.org/10.17188/1276901

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36 MATERIALS SCIENCE↗