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Au2Pb is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Au1- is bonded to six equivalent Au1- and six equivalent Pb2+ atoms to form a mixture of edge, face, and corner-sharing AuPb6Au6 cuboctahedra. All Au–Au bond lengths are 2.88 Å. All Au–Pb bond lengths are 3.37 Å. Pb2+ is bonded in a 12-coordinate geometry to twelve equivalent Au1- atoms.
AuPb2 is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Au is bonded in a 10-coordinate geometry to two equivalent Au and eight equivalent Pb atoms. Both Au–Au bond lengths are 2.97 Å. All Au–Pb bond lengths are 3.15 Å. Pb is bonded in a 7-coordinate geometry to four equivalent Au and three equivalent Pb atoms. There are one shorter (3.34 Å) and two longer (3.52 Å) Pb–Pb bond lengths.
AuPb3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent Au sites. In the first Au site, Au is bonded in a 8-coordinate geometry to eight Pb atoms. There are a spread of Au–Pb bond distances ranging from 3.05–3.14 Å. In the second Au site, Au is bonded in a 8-coordinate geometry to eight Pb atoms. There are a spread of Au–Pb bond distances ranging from 3.05–3.14 Å. In the third Au site, Au is bonded in a 8-coordinate geometry to eight Pb atoms. There are a spread of Au–Pb bond distances ranging from 3.05–3.14 Å. There are seven inequivalent Pb sites. In the first Pb site, Pb is bonded in a 4-coordinate geometry to four Au atoms. In the second Pb site, Pb is bonded in a 4-coordinate geometry to four Au atoms. In the third Pb site, Pb is bonded in a 4-coordinate geometry to four Au atoms. In the fourth Pb site, Pb is bonded in a 2-coordinate geometry to two Au atoms. In the fifth Pb site, Pb is bonded in a 2-coordinate geometry to two Au atoms. In the sixth Pb site, Pb is bonded in a distorted bent 120 degrees geometry to two Au atoms. In the seventh Pb site, Pb is bonded in a distorted bent 120 degrees geometry to two Au atoms.
Au3Pb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Au sites. In the first Au site, Au is bonded in a distorted body-centered cubic geometry to four equivalent Au and four equivalent Pb atoms. All Au–Au bond lengths are 3.02 Å. All Au–Pb bond lengths are 3.02 Å. In the second Au site, Au is bonded in a distorted body-centered cubic geometry to eight equivalent Au and six equivalent Pb atoms. All Au–Pb bond lengths are 3.48 Å. Pb is bonded in a body-centered cubic geometry to fourteen Au atoms.