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B(Sn)3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one boron molecule and one Sn framework. In the Sn framework, Sn is bonded in a 8-coordinate geometry to eight equivalent Sn atoms. All Sn–Sn bond lengths are 3.20 Å.
B(Sn)3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four boron, metallic molecules and one Sn framework. In the Sn framework, there are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Sn atoms to form a mixture of edge and corner-sharing SnSn4 tetrahedra. All Sn–Sn bond lengths are 3.11 Å. In the second Sn site, Sn is bonded in a body-centered cubic geometry to eight equivalent Sn atoms.