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DOE OSTI · 1199189

Materials Data on RbPb2Br5 by Materials Project

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Abstract

RbPb2Br5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are eight shorter (3.73 Å) and two longer (3.84 Å) Rb–Br bond lengths. Pb2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Pb–Br bond distances ranging from 2.93–3.41 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three equivalent Pb2+ atoms. In the second Br1- site, Br1- is bonded to two equivalent Rb1+ and four equivalent Pb2+ atoms to form corner-sharing BrRb2Pb4 octahedra. The corner-sharing octahedra tilt angles range from 0–37°.

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36 MATERIALS SCIENCEBr-Pb-Rbcrystal structureRbPb2Br5

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2020-07-17. Materials Data on RbPb2Br5 by Materials Project. https://doi.org/10.17188/1199189

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