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DOE OSTI · 1207028

Materials Data on NaPF3 by Materials Project

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Abstract

NaPF3 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one NaPF3 sheet oriented in the (-1, 1, 1) direction. Na is bonded in a distorted T-shaped geometry to three F atoms. There are two shorter (2.18 Å) and one longer (2.32 Å) Na–F bond lengths. P is bonded in a distorted T-shaped geometry to three F atoms. There is one shorter (1.66 Å) and two longer (1.80 Å) P–F bond length. There are three inequivalent F sites. In the first F site, F is bonded in a linear geometry to one Na and one P atom. In the second F site, F is bonded in a linear geometry to one Na and one P atom. In the third F site, F is bonded in a bent 150 degrees geometry to one Na and one P atom.

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36 MATERIALS SCIENCEcrystal structureF-Na-PNaPF3

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2020-07-23. Materials Data on NaPF3 by Materials Project. https://doi.org/10.17188/1207028

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