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CaPb is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ca is bonded in a distorted body-centered cubic geometry to eight equivalent Pb atoms. All Ca–Pb bond lengths are 3.45 Å. Pb is bonded in a distorted body-centered cubic geometry to eight equivalent Ca atoms.
Pb3Ca is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Pb atoms to form a mixture of corner and face-sharing CaPb12 cuboctahedra. All Ca–Pb bond lengths are 3.51 Å. Pb is bonded in a square co-planar geometry to four equivalent Ca atoms.
Ca2Pb is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to four equivalent Pb atoms to form a mixture of edge and corner-sharing CaPb4 tetrahedra. There are three shorter (3.20 Å) and one longer (3.30 Å) Ca–Pb bond lengths. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.39–3.74 Å. Pb is bonded in a 9-coordinate geometry to nine Ca atoms.
Ca3Pb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a distorted square co-planar geometry to four equivalent Pb atoms. All Ca–Pb bond lengths are 3.59 Å. Pb is bonded to twelve equivalent Ca atoms to form a mixture of corner and face-sharing PbCa12 cuboctahedra.
Ca2Pb is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded to four equivalent Pb atoms to form a mixture of edge and corner-sharing CaPb4 tetrahedra. All Ca–Pb bond lengths are 3.31 Å. Pb is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.
Ca5Pb3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 6-coordinate geometry to six Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.39–3.41 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.26–3.66 Å. In the third Ca site, Ca is bonded in a 5-coordinate geometry to five Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.27–3.66 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to nine Ca atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to nine Ca atoms.