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DOE OSTI · 1715760

Materials Data on Ti4Fe2P3 by Materials Project

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Abstract

Ti4Fe2P3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 5-coordinate geometry to five P atoms. There are one shorter (2.47 Å) and four longer (2.57 Å) Ti–P bond lengths. In the second Ti site, Ti is bonded in a 7-coordinate geometry to two equivalent Fe and five P atoms. Both Ti–Fe bond lengths are 2.70 Å. There are a spread of Ti–P bond distances ranging from 2.53–2.68 Å. In the third Ti site, Ti is bonded in a 4-coordinate geometry to four P atoms. There are two shorter (2.42 Å) and two longer (2.49 Å) Ti–P bond lengths. Fe is bonded in a 4-coordinate geometry to two equivalent Ti and four P atoms. There are a spread of Fe–P bond distances ranging from 2.27–2.39 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to seven Ti and two equivalent Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to five Ti and four equivalent Fe atoms.

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36 MATERIALS SCIENCEcrystal structureFe-P-TiTi4Fe2P3

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2020-05-02. Materials Data on Ti4Fe2P3 by Materials Project. https://doi.org/10.17188/1715760

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