Materials Data on Ca2Pb by Materials Project
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.
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