Materials Data on Ba2Sn by Materials Project
Ba2Sn is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to four equivalent Sn atoms to form a mixture of edge and corner-sharing BaSn4 tetrahedra. There are a spread of Ba–Sn bond distances ranging from 3.51–3.59 Å. In the second Ba site, Ba is bonded in a 3-coordinate geometry to three equivalent Sn atoms. There are one shorter (3.63 Å) and two longer (3.79 Å) Ba–Sn bond lengths. Sn is bonded in a 9-coordinate geometry to seven Ba atoms.
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