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DOE OSTI · 1199299

Materials Data on NiBi3 by Materials Project

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Abstract

NiBi3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two NiBi3 ribbons oriented in the (1, 0, 0) direction. Ni is bonded in a 9-coordinate geometry to two equivalent Ni and seven Bi atoms. Both Ni–Ni bond lengths are 2.65 Å. There are a spread of Ni–Bi bond distances ranging from 2.73–2.79 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a single-bond geometry to one Ni atom. In the second Bi site, Bi is bonded in a 3-coordinate geometry to three equivalent Ni atoms. In the third Bi site, Bi is bonded in a 3-coordinate geometry to three equivalent Ni atoms.

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36 MATERIALS SCIENCEBi-Nicrystal structureNiBi3

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2020-07-17. Materials Data on NiBi3 by Materials Project. https://doi.org/10.17188/1199299

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