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DOE OSTI · 1276247

Materials Data on RbYbBr3 by Materials Project

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Abstract

RbYbBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.49–3.86 Å. Yb2+ is bonded to six Br1- atoms to form corner-sharing YbBr6 octahedra. The corner-sharing octahedra tilt angles range from 24–28°. There are two shorter (2.89 Å) and four longer (2.90 Å) Yb–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Yb2+ atoms. In the second Br1- site, Br1- is bonded to two equivalent Rb1+ and two equivalent Yb2+ atoms to form distorted corner-sharing BrRb2Yb2 tetrahedra.

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36 MATERIALS SCIENCEBr-Rb-Ybcrystal structureRbYbBr3

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2020-07-23. Materials Data on RbYbBr3 by Materials Project. https://doi.org/10.17188/1276247

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