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DOE OSTI · 1199565

Materials Data on RbPbI3 by Materials Project

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Abstract

RbPbI3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.90–4.30 Å. Pb2+ is bonded to six I1- atoms to form edge-sharing PbI6 octahedra. There are a spread of Pb–I bond distances ranging from 3.12–3.41 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three equivalent Pb2+ atoms. In the second I1- site, I1- is bonded to four equivalent Rb1+ and one Pb2+ atom to form a mixture of distorted edge and corner-sharing IRb4Pb square pyramids. In the third I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Pb2+ atoms.

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36 MATERIALS SCIENCEcrystal structureI-Pb-RbRbPbI3

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2020-07-23. Materials Data on RbPbI3 by Materials Project. https://doi.org/10.17188/1199565

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