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DOE OSTI · 1721304

Materials Data on Pt3(RhSe5)2 by Materials Project

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Abstract

(RhSe2)2(PtSe2)3 is Calaverite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of three PtSe2 sheets oriented in the (0, 0, 1) direction and two RhSe2 sheets oriented in the (0, 0, 1) direction. In each PtSe2 sheet, Pt+4.67+ is bonded to six Se2- atoms to form edge-sharing PtSe6 octahedra. There are three shorter (2.53 Å) and three longer (2.54 Å) Pt–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Pt+4.67+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Pt+4.67+ atoms. In each RhSe2 sheet, Rh3+ is bonded to six Se2- atoms to form edge-sharing RhSe6 octahedra. There are three shorter (2.50 Å) and three longer (2.53 Å) Rh–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Rh3+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Rh3+ atoms.

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36 MATERIALS SCIENCEcrystal structurePt-Rh-SePt3(RhSe5)2

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2020-05-02. Materials Data on Pt3(RhSe5)2 by Materials Project. https://doi.org/10.17188/1721304

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