Materials Data on Sn3Pb by Materials Project
PbSn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pb is bonded to twelve Sn atoms to form a mixture of face and corner-sharing PbSn12 cuboctahedra. There are six shorter (3.38 Å) and six longer (3.53 Å) Pb–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Pb and eight Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.32–3.49 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Pb and eight equivalent Sn atoms.
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