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DOE OSTI · 1676701

Materials Data on Rb2BaBr4 by Materials Project

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Abstract

Rb2BaBr4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.39–3.67 Å. Ba2+ is bonded to eight equivalent Br1- atoms to form distorted edge-sharing BaBr8 hexagonal bipyramids. There are four shorter (3.31 Å) and four longer (3.60 Å) Ba–Br bond lengths. Br1- is bonded to four equivalent Rb1+ and two equivalent Ba2+ atoms to form a mixture of distorted face, edge, and corner-sharing BrRb4Ba2 octahedra. The corner-sharing octahedra tilt angles range from 15–52°.

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36 MATERIALS SCIENCEBa-Br-Rbcrystal structureRb2BaBr4

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2020-04-29. Materials Data on Rb2BaBr4 by Materials Project. https://doi.org/10.17188/1676701

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