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DOE OSTI · 1662853

Materials Data on FeMoP by Materials Project

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Abstract

FeMoP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mo is bonded in a 11-coordinate geometry to six equivalent Fe and five equivalent P atoms. There are a spread of Mo–Fe bond distances ranging from 2.70–2.79 Å. There are a spread of Mo–P bond distances ranging from 2.44–2.60 Å. Fe is bonded to six equivalent Mo and four equivalent P atoms to form a mixture of distorted edge, face, and corner-sharing FeMo6P4 tetrahedra. There are one shorter (2.22 Å) and three longer (2.27 Å) Fe–P bond lengths. P is bonded in a 9-coordinate geometry to five equivalent Mo and four equivalent Fe atoms.

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36 MATERIALS SCIENCEcrystal structureFe-Mo-PFeMoP

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2020-07-17. Materials Data on FeMoP by Materials Project. https://doi.org/10.17188/1662853

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