Materials Data on GePb3 by Materials Project

Abstract

Pb3Ge crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pb sites. In the first Pb site, Pb is bonded to eight Pb and four equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing PbGe4Pb8 cuboctahedra. There are four shorter (3.45 Å) and four longer (3.47 Å) Pb–Pb bond lengths. All Pb–Ge bond lengths are 3.47 Å. In the second Pb site, Pb is bonded to eight equivalent Pb and four equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing PbGe4Pb8 cuboctahedra. All Pb–Ge bond lengths are 3.45 Å. Ge is bonded in a 12-coordinate geometry to twelve Pb atoms.