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DOE OSTI · 1686058

Materials Data on Fe(PO4)3 by Materials Project

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Abstract

Fe(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Fe is bonded to six equivalent O atoms to form FeO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Fe–O bond lengths are 2.00 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 31°. There is two shorter (1.53 Å) and two longer (1.55 Å) P–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Fe and one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom.

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36 MATERIALS SCIENCEcrystal structureFe(PO4)3Fe-O-P

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2020-05-03. Materials Data on Fe(PO4)3 by Materials Project. https://doi.org/10.17188/1686058

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