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DOE OSTI · 1274548

Materials Data on Nb2Br5 by Materials Project

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Abstract

Nb2Br5 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two Nb2Br5 ribbons oriented in the (0, 0, 1) direction. Nb+2.50+ is bonded to six Br1- atoms to form a mixture of edge, face, and corner-sharing NbBr6 octahedra. The corner-sharing octahedral tilt angles are 79°. There are a spread of Nb–Br bond distances ranging from 2.66–2.71 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Nb+2.50+ atoms. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to four equivalent Nb+2.50+ atoms. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Nb+2.50+ atoms.

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36 MATERIALS SCIENCEBr-Nbcrystal structureNb2Br5

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2020-05-02. Materials Data on Nb2Br5 by Materials Project. https://doi.org/10.17188/1274548

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