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DOE OSTI · 1199449

Materials Data on PAuCl4 by Materials Project

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Abstract

Cl3PAuCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Cl3PAuCl clusters. Au1- is bonded in a linear geometry to one P5+ and one Cl1- atom. The Au–P bond length is 2.24 Å. The Au–Cl bond length is 2.30 Å. P5+ is bonded in a tetrahedral geometry to one Au1- and three Cl1- atoms. All P–Cl bond lengths are 2.02 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Au1- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom.

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36 MATERIALS SCIENCEAu-Cl-Pcrystal structurePAuCl4

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2020-07-18. Materials Data on PAuCl4 by Materials Project. https://doi.org/10.17188/1199449

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