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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ga3Pb by Materials Project

Ga3Pb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Ga and four equivalent Pb atoms to form a mixture of distorted edge, face, and corner-sharing GaGa4Pb4 tetrahedra. All Ga–Ga bond lengths are 3.12 Å. All Ga–Pb bond lengths are 3.12 Å. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaPb3 by Materials Project

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.

36 MATERIALS SCIENCE↗