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DOE OSTI · 1270435

Materials Data on PBr3O by Materials Project

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Abstract

POBr3 is beta Np structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four phosphorus oxybromide molecules. P5+ is bonded in a distorted tetrahedral geometry to one O2- and three Br1- atoms. The P–O bond length is 1.48 Å. All P–Br bond lengths are 2.20 Å. O2- is bonded in a single-bond geometry to one P5+ atom. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one P5+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom.

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36 MATERIALS SCIENCEBr-O-Pcrystal structurePBr3O

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2020-07-23. Materials Data on PBr3O by Materials Project. https://doi.org/10.17188/1270435

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