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DOE OSTI · 1752623

Materials Data on CsPO4 by Materials Project

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Abstract

CsPO4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Cs–O bond distances ranging from 3.22–3.58 Å. P is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.54 Å) and three longer (1.55 Å) P–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cs and one P atom. In the second O site, O is bonded in a single-bond geometry to three equivalent Cs and one P atom. In the third O site, O is bonded in a single-bond geometry to three equivalent Cs and one P atom.

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36 MATERIALS SCIENCEcrystal structureCs-O-PCsPO4

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2019-09-05. Materials Data on CsPO4 by Materials Project. https://doi.org/10.17188/1752623

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