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DOE OSTI · 1687890

Materials Data on YPO6 by Materials Project

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Abstract

YPO6 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two YPO6 sheets oriented in the (0, 1, 0) direction. Y is bonded in a 6-coordinate geometry to eight O atoms. There are a spread of Y–O bond distances ranging from 2.25–3.12 Å. P is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.54 Å) and two longer (1.57 Å) P–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Y and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to one Y and one O atom. The O–O bond length is 1.23 Å. In the third O site, O is bonded in a water-like geometry to one Y and one P atom.

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36 MATERIALS SCIENCEcrystal structureO-P-YYPO6

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2020-05-03. Materials Data on YPO6 by Materials Project. https://doi.org/10.17188/1687890

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