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DOE OSTI · 1653009

Materials Data on TiFeP by Materials Project

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Abstract

FeTiP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to six equivalent Fe and five P atoms. There are two shorter (2.69 Å) and four longer (2.82 Å) Ti–Fe bond lengths. There are one shorter (2.51 Å) and four longer (2.53 Å) Ti–P bond lengths. Fe is bonded in a 4-coordinate geometry to six equivalent Ti and four P atoms. There are two shorter (2.30 Å) and two longer (2.31 Å) Fe–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Fe atoms.

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36 MATERIALS SCIENCEcrystal structureFe-P-TiTiFeP

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2020-07-16. Materials Data on TiFeP by Materials Project. https://doi.org/10.17188/1653009

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