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DOE OSTI · 1313160

Materials Data on RbPrS2 by Materials Project

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Abstract

RbPrS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent S2- atoms to form distorted RbS6 octahedra that share corners with six equivalent PrS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent PrS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Rb–S bond lengths are 3.39 Å. Pr3+ is bonded to six equivalent S2- atoms to form PrS6 octahedra that share corners with six equivalent RbS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent PrS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Pr–S bond lengths are 2.90 Å. S2- is bonded to three equivalent Rb1+ and three equivalent Pr3+ atoms to form a mixture of edge and corner-sharing SRb3Pr3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structurePr-Rb-SRbPrS2

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2020-07-16. Materials Data on RbPrS2 by Materials Project. https://doi.org/10.17188/1313160

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