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DOE OSTI · 1191029

Materials Data on RbFe2Se3 by Materials Project

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Abstract

RbFe2Se3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.59–4.05 Å. Fe+2.50+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing FeSe4 tetrahedra. There are two shorter (2.35 Å) and two longer (2.44 Å) Fe–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Fe+2.50+ atoms. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent Rb1+ and four equivalent Fe+2.50+ atoms.

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36 MATERIALS SCIENCEcrystal structureFe-Rb-SeRbFe2Se3

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2020-07-17. Materials Data on RbFe2Se3 by Materials Project. https://doi.org/10.17188/1191029

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