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DOE OSTI · 1716390

Materials Data on BiBr7(N3F2)2 by Materials Project

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Abstract

Bi(N3Br3F)2BrF2 is alpha bismuth trifluoride structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four bismuth, elemental molecules; four BrF2 clusters; and eight N3Br3F clusters. In each BrF2 cluster, Br1- is bonded in a linear geometry to two equivalent F1- atoms. Both Br–F bond lengths are 1.92 Å. F1- is bonded in a single-bond geometry to one Br1- atom. In each N3Br3F cluster, N1+ is bonded in a single-bond geometry to one Br1- atom. The N–Br bond length is 1.78 Å. Br1- is bonded in a linear geometry to one N1+ and one F1- atom. The Br–F bond length is 2.41 Å. F1- is bonded in a trigonal non-coplanar geometry to three equivalent Br1- atoms.

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36 MATERIALS SCIENCEBi-Br-F-NBiBr7(N3F2)2crystal structure

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2020-04-29. Materials Data on BiBr7(N3F2)2 by Materials Project. https://doi.org/10.17188/1716390

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