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DOE OSTI · 1714009

Materials Data on Tb5CuBi3 by Materials Project

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Abstract

Tb5CuBi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All Tb–Bi bond lengths are 3.32 Å. In the second Tb site, Tb is bonded to two equivalent Cu and five equivalent Bi atoms to form a mixture of distorted face, edge, and corner-sharing TbCu2Bi5 pentagonal bipyramids. Both Tb–Cu bond lengths are 2.88 Å. There are a spread of Tb–Bi bond distances ranging from 3.17–3.43 Å. Cu is bonded to six equivalent Tb atoms to form face-sharing CuTb6 octahedra. Bi is bonded in a 9-coordinate geometry to nine Tb atoms.

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36 MATERIALS SCIENCEBi-Cu-Tbcrystal structureTb5CuBi3

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2020-05-02. Materials Data on Tb5CuBi3 by Materials Project. https://doi.org/10.17188/1714009

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36 MATERIALS SCIENCE↗