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DOE OSTI · 1742720

Materials Data on Ti4CoNi by Materials Project

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Abstract

Ti4CoNi crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to three equivalent Co and three equivalent Ni atoms. All Ti–Co bond lengths are 2.46 Å. All Ti–Ni bond lengths are 2.54 Å. In the second Ti site, Ti is bonded in a 2-coordinate geometry to two equivalent Co and two equivalent Ni atoms. Both Ti–Co bond lengths are 2.87 Å. Both Ti–Ni bond lengths are 2.58 Å. In the third Ti site, Ti is bonded in a 2-coordinate geometry to two equivalent Co and two equivalent Ni atoms. Both Ti–Co bond lengths are 2.47 Å. Both Ti–Ni bond lengths are 2.90 Å. Co is bonded in a 9-coordinate geometry to nine Ti atoms. Ni is bonded in a 12-coordinate geometry to nine Ti and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.82 Å.

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36 MATERIALS SCIENCECo-Ni-Ticrystal structureTi4CoNi

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2020-05-02. Materials Data on Ti4CoNi by Materials Project. https://doi.org/10.17188/1742720

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