Materials Data on Sr(AsPt)2 by Materials Project

Abstract

SrPt2As2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. There are a spread of Sr–Pt bond distances ranging from 3.20–3.58 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 11-coordinate geometry to four equivalent Sr2+, three equivalent Pt2-, and four equivalent As1+ atoms. There are two shorter (2.99 Å) and one longer (3.01 Å) Pt–Pt bond lengths. There are a spread of Pt–As bond distances ranging from 2.52–2.74 Å. In the second Pt2- site, Pt2- is bonded in a 9-coordinate geometry to four equivalent Sr2+ and five As1+ atoms. There are a spread of Pt–As bond distances ranging from 2.54–2.58 Å. There are two inequivalent As1+ sites. In the first As1+ site, As1+ is bonded to four equivalent Pt2- atoms to form a mixture of corner and edge-sharing AsPt4 tetrahedra. In the second As1+ site, As1+ is bonded in a 5-coordinate geometry to five Pt2- atoms.