Materials Data on KPt2S3 by Materials Project

Abstract

KPt2S3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three KPt2S3 sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 9-coordinate geometry to three equivalent S+1.67- atoms. All K–S bond lengths are 3.37 Å. There are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in an octahedral geometry to six equivalent S+1.67- atoms. All Pt–S bond lengths are 2.42 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four equivalent S+1.67- atoms. All Pt–S bond lengths are 2.35 Å. S+1.67- is bonded to one K1+ and three Pt2+ atoms to form a mixture of distorted edge and corner-sharing SKPt3 trigonal pyramids.