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DOE OSTI · 1719557

Materials Data on Ti2Fe by Materials Project

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Abstract

Ti2Fe crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 12-coordinate geometry to six equivalent Ti and six equivalent Fe atoms. All Ti–Ti bond lengths are 2.87 Å. All Ti–Fe bond lengths are 2.46 Å. In the second Ti site, Ti is bonded in a 2-coordinate geometry to ten Ti and four equivalent Fe atoms. There are four shorter (2.96 Å) and four longer (3.01 Å) Ti–Ti bond lengths. There are two shorter (2.59 Å) and two longer (2.86 Å) Ti–Fe bond lengths. Fe is bonded in a 12-coordinate geometry to nine Ti atoms.

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36 MATERIALS SCIENCEcrystal structureFe-TiTi2Fe

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2020-05-03. Materials Data on Ti2Fe by Materials Project. https://doi.org/10.17188/1719557

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