Materials Data on SiSbPt5 by Materials Project
Pt5SiSb crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+0.40- sites. In the first Pt+0.40- site, Pt+0.40- is bonded in a 2-coordinate geometry to two equivalent Pt+0.40-, two equivalent Si4+, and two equivalent Sb2- atoms. Both Pt–Pt bond lengths are 2.95 Å. Both Pt–Si bond lengths are 2.47 Å. Both Pt–Sb bond lengths are 2.95 Å. In the second Pt+0.40- site, Pt+0.40- is bonded to eight equivalent Pt+0.40- and four equivalent Sb2- atoms to form distorted PtSb4Pt8 cuboctahedra that share corners with four equivalent PtSb4Pt8 cuboctahedra, faces with four equivalent PtSb4Pt8 cuboctahedra, and faces with four equivalent SbPt12 cuboctahedra. All Pt–Sb bond lengths are 2.84 Å. Si4+ is bonded in a body-centered cubic geometry to eight equivalent Pt+0.40- atoms. Sb2- is bonded to twelve Pt+0.40- atoms to form SbPt12 cuboctahedra that share corners with four equivalent SbPt12 cuboctahedra, faces with four equivalent PtSb4Pt8 cuboctahedra, and faces with four equivalent SbPt12 cuboctahedra.