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DOE OSTI · 1312927

Materials Data on PrBN2 by Materials Project

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Abstract

PrBN2 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Pr3+ is bonded to seven N3- atoms to form a mixture of distorted edge, corner, and face-sharing PrN7 pentagonal bipyramids. There are a spread of Pr–N bond distances ranging from 2.54–2.71 Å. B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.47 Å) and one longer (1.49 Å) B–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to five equivalent Pr3+ and one B3+ atom. In the second N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two equivalent Pr3+ and two equivalent B3+ atoms.

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36 MATERIALS SCIENCEB-N-Prcrystal structurePrBN2

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2020-07-18. Materials Data on PrBN2 by Materials Project. https://doi.org/10.17188/1312927

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DOE OSTI2026

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36 MATERIALS SCIENCE↗