Materials Data on SiSnPt5 by Materials Project

Abstract

Pt5SnSi crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a 2-coordinate geometry to two equivalent Pt+1.20-, two equivalent Sn2+, and two equivalent Si4+ atoms. Both Pt–Pt bond lengths are 2.91 Å. Both Pt–Sn bond lengths are 2.91 Å. Both Pt–Si bond lengths are 2.48 Å. In the second Pt+1.20- site, Pt+1.20- is bonded to eight equivalent Pt+1.20- and four equivalent Sn2+ atoms to form distorted PtSn4Pt8 cuboctahedra that share corners with four equivalent PtSn4Pt8 cuboctahedra, faces with four equivalent PtSn4Pt8 cuboctahedra, and faces with four equivalent SnPt12 cuboctahedra. All Pt–Sn bond lengths are 2.84 Å. Sn2+ is bonded to twelve Pt+1.20- atoms to form SnPt12 cuboctahedra that share corners with four equivalent SnPt12 cuboctahedra, faces with four equivalent PtSn4Pt8 cuboctahedra, and faces with four equivalent SnPt12 cuboctahedra. Si4+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.