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DOE OSTI · 1201644

Materials Data on B4PF9 by Materials Project

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Abstract

BPF3(BF2)3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of twelve difluoroborane molecules and four BPF3 clusters. In each BPF3 cluster, B3+ is bonded in a single-bond geometry to one P3- atom. The B–P bond length is 1.85 Å. P3- is bonded in a 4-coordinate geometry to one B3+ and three F1- atoms. All P–F bond lengths are 1.55 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P3- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P3- atom.

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36 MATERIALS SCIENCEB-F-PB4PF9crystal structure

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2020-05-01. Materials Data on B4PF9 by Materials Project. https://doi.org/10.17188/1201644

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