Materials Data on Ca2Sn by Materials Project
Ca2Sn 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 Sn atoms to form a mixture of corner and edge-sharing CaSn4 tetrahedra. There are three shorter (3.16 Å) and one longer (3.26 Å) Ca–Sn bond lengths. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Ca–Sn bond distances ranging from 3.35–3.69 Å. Sn is bonded in a 9-coordinate geometry to nine Ca atoms.
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