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DOE OSTI · 1302621

Materials Data on Ti2(PO4)3 by Materials Project

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Abstract

Ti2(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ti is bonded to six O atoms to form TiO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.93 Å) and three longer (1.97 Å) Ti–O bond length. P is bonded to four O atoms to form PO4 tetrahedra that share corners with four equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 20–32°. All P–O bond lengths are 1.54 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Ti and one P atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Ti and one P atom.

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36 MATERIALS SCIENCEcrystal structureO-P-TiTi2(PO4)3

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2020-07-15. Materials Data on Ti2(PO4)3 by Materials Project. https://doi.org/10.17188/1302621

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