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DOE OSTI · 1738361

Materials Data on TiFeP by Materials Project

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Abstract

FeTiP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to six equivalent Fe and five equivalent P atoms. There are a spread of Ti–Fe bond distances ranging from 2.69–2.81 Å. There are three shorter (2.56 Å) and two longer (2.57 Å) Ti–P bond lengths. Fe is bonded to six equivalent Ti and four equivalent P atoms to form a mixture of distorted edge, face, and corner-sharing FeTi6P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.24–2.29 Å. P is bonded in a 9-coordinate geometry to five equivalent Ti and four equivalent Fe atoms.

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36 MATERIALS SCIENCEcrystal structureFe-P-TiTiFeP

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2020-05-03. Materials Data on TiFeP by Materials Project. https://doi.org/10.17188/1738361

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