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DOE OSTI · 1191773

Materials Data on RbTiS2 by Materials Project

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Abstract

RbTiS2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are three shorter (3.22 Å) and three longer (3.28 Å) Rb–S bond lengths. Ti3+ is bonded to six S2- atoms to form edge-sharing TiS6 octahedra. There are three shorter (2.52 Å) and three longer (2.53 Å) Ti–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Rb1+ and three equivalent Ti3+ atoms. In the second S2- site, S2- is bonded to three equivalent Rb1+ and three equivalent Ti3+ atoms to form distorted edge-sharing SRb3Ti3 octahedra.

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36 MATERIALS SCIENCEcrystal structureRb-S-TiRbTiS2

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2020-07-16. Materials Data on RbTiS2 by Materials Project. https://doi.org/10.17188/1191773

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