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DOE OSTI · 1737943

Materials Data on Pb2Br5N by Materials Project

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Abstract

Pb2NBr5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Pb4+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Pb–Br bond distances ranging from 2.95–3.28 Å. N3- is bonded in a distorted q6 geometry to ten Br1- atoms. There are two shorter (3.62 Å) and eight longer (3.69 Å) N–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Pb4+ and two equivalent N3- atoms. In the second Br1- site, Br1- is bonded in a distorted square co-planar geometry to four equivalent Pb4+ and two equivalent N3- atoms.

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36 MATERIALS SCIENCEBr-N-Pbcrystal structurePb2Br5N

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2020-05-02. Materials Data on Pb2Br5N by Materials Project. https://doi.org/10.17188/1737943

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