Materials Data on Sr(AsPt)2 by Materials Project

Abstract

SrPt2As2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. There are four shorter (3.39 Å) and four longer (3.46 Å) Sr–Pt bond lengths. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent As1+ atoms. All Pt–As bond lengths are 2.61 Å. In the second Pt2- site, Pt2- is bonded in a 9-coordinate geometry to four equivalent Sr2+ and five As1+ atoms. There are one shorter (2.53 Å) and four longer (2.56 Å) Pt–As bond lengths. There are two inequivalent As1+ sites. In the first As1+ site, As1+ is bonded in a 5-coordinate geometry to five Pt2- atoms. In the second As1+ site, As1+ is bonded to four equivalent Pt2- atoms to form a mixture of distorted corner and edge-sharing AsPt4 tetrahedra.