Materials Data on GaPb3 by Materials Project

Abstract

GaPb3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ga is bonded in a 12-coordinate geometry to twelve Pb atoms. There are four shorter (3.41 Å) and eight longer (3.49 Å) Ga–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 12-coordinate geometry to four equivalent Ga and eight Pb atoms. There are four shorter (3.41 Å) and four longer (3.49 Å) Pb–Pb bond lengths. In the second Pb site, Pb is bonded to four equivalent Ga and eight equivalent Pb atoms to form a mixture of distorted edge, corner, and face-sharing PbGa4Pb8 cuboctahedra.