Materials Data on BiPtPb3 by Materials Project

Abstract

PtPb3Bi crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Pt is bonded in a 2-coordinate geometry to one Pt, six Pb, and two equivalent Bi atoms. The Pt–Pt bond length is 2.87 Å. There are two shorter (3.01 Å) and four longer (3.05 Å) Pt–Pb bond lengths. Both Pt–Bi bond lengths are 2.87 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 10-coordinate geometry to one Pt, six Pb, and three equivalent Bi atoms. There are four shorter (3.51 Å) and two longer (3.60 Å) Pb–Pb bond lengths. There are two shorter (3.48 Å) and one longer (3.49 Å) Pb–Bi bond lengths. In the second Pb site, Pb is bonded in a 4-coordinate geometry to four equivalent Pt and four equivalent Pb atoms. Bi is bonded in a 2-coordinate geometry to two equivalent Pt and six equivalent Pb atoms.