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DOE OSTI · 1758253

Materials Data on ZrTiCr4 by Materials Project

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Abstract

ZrTiCr4 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 Cr atoms. All Zr–Ti bond lengths are 3.04 Å. All Zr–Cr bond lengths are 2.91 Å. Ti is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Cr atoms. All Ti–Cr bond lengths are 2.91 Å. Cr is bonded to three equivalent Zr, three equivalent Ti, and six equivalent Cr atoms to form a mixture of corner, edge, and face-sharing CrZr3Ti3Cr6 cuboctahedra. All Cr–Cr bond lengths are 2.48 Å.

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36 MATERIALS SCIENCECr-Ti-Zrcrystal structureZrTiCr4

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2020-09-03. Materials Data on ZrTiCr4 by Materials Project. https://doi.org/10.17188/1758253

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