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CoSn2 is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Co is bonded in a 10-coordinate geometry to two equivalent Co and eight equivalent Sn atoms. Both Co–Co bond lengths are 2.74 Å. All Co–Sn bond lengths are 2.74 Å. Sn is bonded in a 4-coordinate geometry to four equivalent Co atoms.
CoO6(SnF3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one CoO6 cluster and one SnF3 cluster. In the CoO6 cluster, Co is bonded in an octahedral geometry to six O atoms. There is two shorter (1.72 Å) and four longer (1.92 Å) Co–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Co and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in a 2-coordinate geometry to one Co and one O atom. In the third O site, O is bonded in a single-bond geometry to one Co atom. In the SnF3 cluster, Sn is bonded in a distorted rectangular see-saw-like geometry to four F atoms. There are a spread of Sn–F bond distances ranging from 1.94–2.27 Å. There are three inequivalent F sites. In the first F site, F is bonded in a water-like geometry to two equivalent Sn atoms. In the second F site, F is bonded in a single-bond geometry to one Sn atom. In the third F site, F is bonded in a single-bond geometry to one Sn atom.