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In3Pb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. In is bonded in a 4-coordinate geometry to four equivalent Pb atoms. There are two shorter (3.44 Å) and two longer (3.47 Å) In–Pb bond lengths. Pb is bonded to twelve equivalent In atoms to form a mixture of corner and face-sharing PbIn12 cuboctahedra.
In4Pb crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to nine In and three equivalent Pb atoms. There are a spread of In–In bond distances ranging from 3.32–3.59 Å. There are two shorter (3.54 Å) and one longer (3.67 Å) In–Pb bond lengths. In the second In site, In is bonded in a 12-coordinate geometry to eleven In atoms. There are a spread of In–In bond distances ranging from 3.32–3.45 Å. Pb is bonded in a 12-coordinate geometry to six equivalent In and six equivalent Pb atoms. There are four shorter (3.32 Å) and two longer (3.44 Å) Pb–Pb bond lengths.
PbIn1 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent In sites. In the first In site, In is bonded to six equivalent Pb atoms to form distorted InPb6 cuboctahedra that share corners with six InPb6 cuboctahedra, corners with twelve equivalent PbIn6Pb6 cuboctahedra, edges with twelve InPb6 cuboctahedra, and edges with twelve equivalent PbIn6Pb6 cuboctahedra. All In–Pb bond lengths are 3.49 Å. In the second In site, In is bonded to six Pb atoms to form distorted InPb6 cuboctahedra that share corners with six InPb6 cuboctahedra, corners with fourteen PbIn6Pb6 cuboctahedra, edges with twelve InPb6 cuboctahedra, edges with fourteen PbIn6Pb6 cuboctahedra, and faces with two equivalent PbIn6Pb10 cuboctahedra. All In–Pb bond lengths are 3.49 Å. In the third In site, In is bonded to six Pb atoms to form distorted InPb6 cuboctahedra that share corners with six InPb6 cuboctahedra, corners with fourteen PbIn6Pb6 cuboctahedra, edges with twelve InPb6 cuboctahedra, edges with fourteen PbIn6Pb6 cuboctahedra, and faces with two equivalent PbIn6Pb10 cuboctahedra. All In–Pb bond lengths are 3.49 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to six In and six equivalent Pb atoms to form distorted PbIn6Pb6 cuboctahedra that share corners with twelve InPb6 cuboctahedra, corners with twelve PbIn6Pb6 cuboctahedra, edges with twelve InPb6 cuboctahedra, edges with twelve PbIn6Pb6 cuboctahedra, and faces with six equivalent PbIn6Pb6 cuboctahedra. All Pb–Pb bond lengths are 3.51 Å. In the second Pb site, Pb is bonded to six In and ten equivalent Pb atoms to form distorted PbIn6Pb10 cuboctahedra that share corners with twelve PbIn6Pb6 cuboctahedra, corners with sixteen InPb6 cuboctahedra, edges with sixteen InPb6 cuboctahedra, edges with sixteen PbIn6Pb6 cuboctahedra, faces with four InPb6 cuboctahedra, and faces with sixteen equivalent PbIn6Pb10 cuboctahedra. There are a spread of Pb–Pb bond distances ranging from 3.51–7.02 Å.
In3Pb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent In sites. In the first In site, In is bonded in a distorted body-centered cubic geometry to four equivalent In and four equivalent Pb atoms. All In–In bond lengths are 3.36 Å. All In–Pb bond lengths are 3.36 Å. In the second In site, In is bonded in a body-centered cubic geometry to eight equivalent In atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent In atoms.