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DOE OSTI · 1718270

Materials Data on RbFeCl3 by Materials Project

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Abstract

RbFeCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with eight equivalent FeCl6 octahedra. All Rb–Cl bond lengths are 3.53 Å. Fe2+ is bonded to six equivalent Cl1- atoms to form FeCl6 octahedra that share corners with six equivalent FeCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–Cl bond lengths are 2.49 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Fe2+ atoms.

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36 MATERIALS SCIENCECl-Fe-Rbcrystal structureRbFeCl3

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2020-05-02. Materials Data on RbFeCl3 by Materials Project. https://doi.org/10.17188/1718270

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