Materials Data on SnSbPt by Materials Project

Abstract

PtSnSb is Marcasite-derived structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to four equivalent Sn4+ and two equivalent Sb2- atoms to form PtSn4Sb2 octahedra that share corners with eight equivalent PtSn2Sb4 octahedra, corners with two equivalent SbSbPt3 tetrahedra, and edges with two equivalent PtSn4Sb2 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. All Pt–Sn bond lengths are 2.72 Å. Both Pt–Sb bond lengths are 2.67 Å. In the second Pt2- site, Pt2- is bonded to two equivalent Sn4+ and four equivalent Sb2- atoms to form PtSn2Sb4 octahedra that share corners with eight equivalent PtSn4Sb2 octahedra, corners with four equivalent SbSbPt3 tetrahedra, and edges with two equivalent PtSn2Sb4 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. Both Pt–Sn bond lengths are 2.72 Å. All Pt–Sb bond lengths are 2.70 Å. Sn4+ is bonded in a distorted trigonal planar geometry to three Pt2- atoms. Sb2- is bonded to three Pt2- and one Sb2- atom to form distorted SbSbPt3 tetrahedra that share corners with three PtSn4Sb2 octahedra, corners with five equivalent SbSbPt3 tetrahedra, and an edgeedge with one SbSbPt3 tetrahedra. The corner-sharing octahedra tilt angles range from 74–77°. The Sb–Sb bond length is 2.93 Å.