Materials Data on PtS by Materials Project

Abstract

PtS crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. there are three inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. All Pt–S bond lengths are 2.37 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pt–S bond lengths are 2.33 Å. In the third Pt2+ site, Pt2+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. There are two shorter (2.36 Å) and two longer (2.38 Å) Pt–S bond lengths. S2- is bonded to four Pt2+ atoms to form a mixture of distorted corner and edge-sharing SPt4 tetrahedra.