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DOE OSTI · 1744288

Materials Data on ZrTiCo4 by Materials Project

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Abstract

ZrTiCo4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Ti and twelve equivalent Co atoms. All Zr–Ti bond lengths are 2.94 Å. All Zr–Co bond lengths are 2.81 Å. Ti is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Co atoms. All Ti–Co bond lengths are 2.81 Å. Co is bonded to three equivalent Zr, three equivalent Ti, and six equivalent Co atoms to form a mixture of face, edge, and corner-sharing CoZr3Ti3Co6 cuboctahedra. There are three shorter (2.39 Å) and three longer (2.41 Å) Co–Co bond lengths.

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36 MATERIALS SCIENCECo-Ti-Zrcrystal structureZrTiCo4

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2020-05-02. Materials Data on ZrTiCo4 by Materials Project. https://doi.org/10.17188/1744288

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