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DOE OSTI · 1190899

Materials Data on KPt2Se3 by Materials Project

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Abstract

KPt2Se3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three KPt2Se3 sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 9-coordinate geometry to three equivalent Se+1.67- atoms. All K–Se bond lengths are 3.51 Å. There are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in an octahedral geometry to six equivalent Se+1.67- atoms. All Pt–Se bond lengths are 2.55 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four equivalent Se+1.67- atoms. All Pt–Se bond lengths are 2.48 Å. Se+1.67- is bonded to one K1+ and three Pt2+ atoms to form a mixture of distorted corner and edge-sharing SeKPt3 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureK-Pt-SeKPt2Se3

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2020-07-15. Materials Data on KPt2Se3 by Materials Project. https://doi.org/10.17188/1190899

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